Geometry & MOs

Info

ID:	240057
PubChem CID:	93575979
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	426.145868
ΔH_f, kcal/mol:	-76.6
Dipole, Da:	4.22
IP(EA), eV:	-8.86(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(1S)-1-[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)CN2C3=CC=CC=C3N=C2[C@H](C)NC(=O)[C@H]4CCCO4

DOS

IR

Vibrations