Geometry & MOs

Info

ID:	401393
PubChem CID:	135051144
Reduced:	ClNO4C15H18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	337.098394
ΔH_f, kcal/mol:	-149.06
Dipole, Da:	4.0
IP(EA), eV:	-8.86(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(benzenesulfonyl)pyrrol-3-yl]-4,4-dimethoxybutan-2-one

Drug info:

PubChemData

Smile

COC(=O)CCN(CC(=C)Cl)C1=CC=C(C=C1)C(=O)OC

DOS

IR

Vibrations