Geometry & MOs

Info

ID:	240127
PubChem CID:	93576278
Reduced:	O3N4C24H28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	-81.98
Dipole, Da:	3.38
IP(EA), eV:	-9.02(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CN2C3=CC=CC=C3N=C2CCNC(=O)[C@@H]4CCCO4

DOS

IR

Vibrations