Geometry & MOs

Info

ID:	245525
PubChem CID:	99453671
Reduced:	O4N5C25H25 (1)
Stoich.:	A4B5C25D25 (1)
Weight, g/mol:	397.162412
ΔH_f, kcal/mol:	-46.17
Dipole, Da:	2.28
IP(EA), eV:	-8.79(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(1S)-1-(2-fluorophenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=C(C=C1)CNC(=O)C2=CN=C3C(=C2)C=NN3CC4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations