Geometry & MOs

Info

ID:	240166
PubChem CID:	93576447
Reduced:	ClO3N4C23H25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	436.211055
ΔH_f, kcal/mol:	-77.75
Dipole, Da:	2.03
IP(EA), eV:	-9.18(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[3-[1-[2-(2-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=CC=C4Cl

DOS

IR

Vibrations