Geometry & MOs

Info

ID:	32567
PubChem CID:	7845655
Reduced:	O5C23H24 (1)
Stoich.:	A5B23C24 (1)
Weight, g/mol:	416.096141
ΔH_f, kcal/mol:	-144.42
Dipole, Da:	2.29
IP(EA), eV:	-8.6(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)C1=CC2=C(CCC2)C=C1)OC(=O)/C=C/C3=C(C(=CC=C3)OC)OC

DOS

IR

Vibrations