Geometry & MOs

Info

ID:	434234
PubChem CID:	135174467
Reduced:	OC8H14 (2)
Stoich.:	AB8C14 (2)
Weight, g/mol:	934.677203
ΔH_f, kcal/mol:	-137.62
Dipole, Da:	0.66
IP(EA), eV:	-9.42(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[1-cyclohexyl-2-[(2S)-2-[[4-[[(2S)-1-[2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidin-2-yl]methyl-(2,3-dihydro-1H-inden-1-yl)amino]butyl-(2,3-dihydro-1H-inden-1-yl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide

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(=O)C1CCC(C(C1)(C)C)C(=O)C(C)C

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(=O)C1CCC(C(C1)(C)C)C(=O)C(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):