Geometry & MOs

Info

ID:	32569
PubChem CID:	7845731
Reduced:	SN3O3C23H27 (1)
Stoich.:	AB3C3D23E27 (1)
Weight, g/mol:	410.166414
ΔH_f, kcal/mol:	-67.01
Dipole, Da:	7.62
IP(EA), eV:	-8.44(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-ethyl-2-[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl]sulfanylbenzimidazole-5-carboxylate

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)C3=C(N(C(=C3)C)CC=C)C

DOS

IR

Vibrations