Geometry & MOs

Info

ID:	416297
PubChem CID:	135089310
Reduced:	N3O3C16H21 (1)
Stoich.:	A3B3C16D21 (1)
Weight, g/mol:	631.348218
ΔH_f, kcal/mol:	-100.83
Dipole, Da:	8.1
IP(EA), eV:	-9.71(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,9S,12R)-3-benzyl-7,12-dimethyl-13-[3-(2-methylbenzimidazol-1-yl)propanoyl]-9-propan-2-yl-1,4,7,10,13-pentazacyclohexadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CC1(CCOC2(C1)CCN(CC2)C(=O)C3=CC(=CN3)C#N)O

DOS

IR

Vibrations