Geometry & MOs

Info

ID:	240183
PubChem CID:	93576546
Reduced:	ClO2N4C23H27 (1)
Stoich.:	AB2C4D23E27 (1)
Weight, g/mol:	426.182254
ΔH_f, kcal/mol:	-52.95
Dipole, Da:	7.12
IP(EA), eV:	-8.81(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[1-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-chlorobenzamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)CN1C2=CC=CC=C2N=C1CCCNC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations