Geometry & MOs

Info

ID:	142218
PubChem CID:	53002215
Reduced:	SN2O4H20C24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	417.114713
ΔH_f, kcal/mol:	-43.3
Dipole, Da:	3.48
IP(EA), eV:	-8.35(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-carbamoylphenyl)-4-(4-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CSC(=C2N3C=CC=C3)C(=O)NC4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations