Geometry & MOs

Info

ID:	240174
PubChem CID:	93576479
Reduced:	O3N4C25H30 (1)
Stoich.:	A3B4C25D30 (1)
Weight, g/mol:	450.226705
ΔH_f, kcal/mol:	-83.11
Dipole, Da:	2.25
IP(EA), eV:	-8.82(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=C2CCCNC(=O)[C@H]4CCCO4

DOS

IR

Vibrations