Geometry & MOs

Info

ID:	159977
PubChem CID:	57304258
Reduced:	ON2C7H14 (1)
Stoich.:	AB2C7D14 (1)
Weight, g/mol:	651.447203
ΔH_f, kcal/mol:	-37.72
Dipole, Da:	2.17
IP(EA), eV:	-8.99(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-3-[1-[(2S)-2-amino-3-phenylpropanoyl]imidazol-4-yl]-1-[[(2S,3S)-1-cyclohexyl-3-hydroxy-6-methylheptan-2-yl]amino]-1-oxopropan-2-yl]-N,4-dimethylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C=N

DOS

IR

Vibrations