Geometry & MOs

Info

ID:	32568
PubChem CID:	7845728
Reduced:	ClSN2O3C21H21 (1)
Stoich.:	ABC2D3E21F21 (1)
Weight, g/mol:	425.177313
ΔH_f, kcal/mol:	-75.17
Dipole, Da:	4.8
IP(EA), eV:	-8.86(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]sulfanyl-1-ethylbenzimidazole-5-carboxylate

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1S[C@H](C)C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations