Geometry & MOs

Info

ID:	444976
PubChem CID:	135264143
Reduced:	N2O3C19H38 (1)
Stoich.:	A2B3C19D38 (1)
Weight, g/mol:	701.315974
ΔH_f, kcal/mol:	-210.66
Dipole, Da:	4.51
IP(EA), eV:	-9.76(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,4aS,8aS)-8-[[(2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoyl]oxymethyl]-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-4a,5,6,8a-tetrahydro-1H-isochromene-4-carboxylate

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

CCCCCCCC(CCCCCCC)OC(=O)[C@H](CC(=O)N)N

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

CCCCCCCC(CCCCCCC)OC(=O)[C@H](CC(=O)N)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):