Geometry & MOs

Info

ID:	240079
PubChem CID:	93576055
Reduced:	O3N4C24H28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	436.17467
ΔH_f, kcal/mol:	-84.49
Dipole, Da:	3.7
IP(EA), eV:	-8.58(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=C2[C@H](C)NC(=O)[C@H]4CCCO4)C

DOS

IR

Vibrations