Geometry & MOs

Info

ID:	131744
PubChem CID:	51257690
Reduced:	ClN2O3H15C18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	324.074405
ΔH_f, kcal/mol:	-69.4
Dipole, Da:	3.62
IP(EA), eV:	-9.1(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-[4-(difluoromethylsulfanyl)phenyl]-1-methylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)Cl)OC2

DOS

IR

Vibrations