Geometry & MOs

Info

ID:	49801
PubChem CID:	11533845
Reduced:	SO2N8C27H30 (1)
Stoich.:	AB2C8D27E30 (1)
Weight, g/mol:	530.1334
ΔH_f, kcal/mol:	20.32
Dipole, Da:	4.69
IP(EA), eV:	-8.77(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(4-methoxyphenyl)-5-(4-methylbenzoyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylthiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC3=CC=CC(=N3)CCC(=O)N4CCN(CC4)C)N)C#N

DOS

IR

Vibrations