Geometry & MOs

Info

ID:	240129
PubChem CID:	93576283
Reduced:	ClO3N4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	470.09535
ΔH_f, kcal/mol:	-75.08
Dipole, Da:	3.26
IP(EA), eV:	-9.32(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)C(=O)NCCC2=NC3=CC=CC=C3N2CC(=O)NC4=CC(=CC=C4)Cl

DOS

IR

Vibrations