Geometry & MOs

Info

ID:	240171
PubChem CID:	93576474
Reduced:	ClO3N4C23H25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	440.161518
ΔH_f, kcal/mol:	-80.46
Dipole, Da:	5.02
IP(EA), eV:	-9.02(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[3-[1-[2-(4-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](OC1)C(=O)NCCCC2=NC3=CC=CC=C3N2CC(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations