Geometry & MOs

Info

ID:	32574
PubChem CID:	7845806
Reduced:	SN2O2C21H24 (1)
Stoich.:	AB2C2D21E24 (1)
Weight, g/mol:	411.161663
ΔH_f, kcal/mol:	-46.55
Dipole, Da:	4.08
IP(EA), eV:	-8.69(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-1-ethylbenzimidazole-5-carboxylate

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC3=C(C=CC(=C3)C)C

DOS

IR

Vibrations