Geometry & MOs

Info

ID:	240053
PubChem CID:	93575971
Reduced:	N4O4C23H26 (1)
Stoich.:	A4B4C23D26 (1)
Weight, g/mol:	420.216141
ΔH_f, kcal/mol:	-106.24
Dipole, Da:	5.09
IP(EA), eV:	-8.58(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=CC=CC=C2N1CC(=O)NC3=CC=CC=C3OC)NC(=O)[C@H]4CCCO4

DOS

IR

Vibrations