Geometry & MOs

Info

ID:	52786
PubChem CID:	12015959
Reduced:	PN3O9C25H44 (1)
Stoich.:	AB3C9D25E44 (1)
Weight, g/mol:	656.378515
ΔH_f, kcal/mol:	-482.29
Dipole, Da:	6.85
IP(EA), eV:	-9.92(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (8S,12Z)-13-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]-6,14-dioxo-7,15-diazaspiro[4.12]heptadec-12-ene-8-carboxylate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(C)OC(=O)NC(C(=O)NCCC1(CCCC1)C(=O)N[C@@H](CCCC=C)C(=O)OC)P(=O)(OC)OC

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(C)OC(=O)NC(C(=O)NCCC1(CCCC1)C(=O)N[C@@H](CCCC=C)C(=O)OC)P(=O)(OC)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):