Geometry & MOs

Info

ID:	240139
PubChem CID:	93576315
Reduced:	O3N4C24H28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	436.17467
ΔH_f, kcal/mol:	-82.53
Dipole, Da:	3.05
IP(EA), eV:	-8.76(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)CN2C3=CC=CC=C3N=C2CCNC(=O)[C@H]4CCCO4

DOS

IR

Vibrations