Geometry & MOs

Info

ID:	240084
PubChem CID:	93576072
Reduced:	O3N4C24H28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	316.153541
ΔH_f, kcal/mol:	-78.0
Dipole, Da:	4.63
IP(EA), eV:	-8.85(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(1S)-1-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]ethyl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations