Geometry & MOs

Info

ID:	240172
PubChem CID:	93576475
Reduced:	ClO3N4C23H25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	436.211055
ΔH_f, kcal/mol:	-78.86
Dipole, Da:	4.85
IP(EA), eV:	-9.07(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[3-[1-[2-(4-methoxyanilino)-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