Geometry & MOs

Info

ID:	32570
PubChem CID:	7845769
Reduced:	SN2O3C23H26 (1)
Stoich.:	AB2C3D23E26 (1)
Weight, g/mol:	418.11627
ΔH_f, kcal/mol:	-80.06
Dipole, Da:	1.82
IP(EA), eV:	-8.64(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl]sulfanyl-1-ethylbenzimidazole-5-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NC3=C(N2CC)C=CC(=C3)C(=O)OCC

DOS

IR

Vibrations