Geometry & MOs

Info

ID:	240184
PubChem CID:	93576547
Reduced:	ClO2N4C23H27 (1)
Stoich.:	AB2C4D23E27 (1)
Weight, g/mol:	333.184112
ΔH_f, kcal/mol:	-50.04
Dipole, Da:	4.64
IP(EA), eV:	-9.18(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations