Geometry & MOs

Info

ID:	240059
PubChem CID:	93575983
Reduced:	ClO3N4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	470.09535
ΔH_f, kcal/mol:	-78.96
Dipole, Da:	6.29
IP(EA), eV:	-9.16(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=CC=CC=C2N1CC(=O)NC3=CC(=CC=C3)Cl)NC(=O)[C@H]4CCCO4

DOS

IR

Vibrations