Geometry & MOs

Info

ID:	231013
PubChem CID:	87572450
Reduced:	O3C9H16 (2)
Stoich.:	A3B9C16 (2)
Weight, g/mol:	951.537081
ΔH_f, kcal/mol:	-311.14
Dipole, Da:	1.77
IP(EA), eV:	-10.54(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(2S)-2-[5-[4-[(2R,5R)-1-(4-cyclohexylphenyl)-5-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrrolidin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid

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

CCCCCCCCCCCC(=O)C(C)(C(=O)O)OC(=O)C(C)O

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

CCCCCCCCCCCC(=O)C(C)(C(=O)O)OC(=O)C(C)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):