Geometry & MOs

Info

ID:	318761
PubChem CID:	126653067
Reduced:	ClSN2O5H21C23 (1)
Stoich.:	ABC2D5E21F23 (1)
Weight, g/mol:	376.028456
ΔH_f, kcal/mol:	-110.44
Dipole, Da:	4.15
IP(EA), eV:	-8.55(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2C3=CC(=C(O3)C(=O)C4=C(C=C(N4)C)C)OC)Cl

DOS

IR

Vibrations