Geometry & MOs

Info

ID:	77600
PubChem CID:	49658354
Reduced:	SN4O4C19H26 (1)
Stoich.:	AB4C4D19E26 (1)
Weight, g/mol:	422.110042
ΔH_f, kcal/mol:	-116.46
Dipole, Da:	4.25
IP(EA), eV:	-8.16(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethoxyphenyl)-4-(3-fluorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C(=NN1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)C)C(=O)OCC

DOS

IR

Vibrations