Geometry & MOs

Info

ID:	403889
PubChem CID:	135062372
Reduced:	SN2O5H20C25 (1)
Stoich.:	AB2C5D20E25 (1)
Weight, g/mol:	395.155515
ΔH_f, kcal/mol:	-31.64
Dipole, Da:	10.41
IP(EA), eV:	-9.0(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-1-[5-methyl-1-(4-methylphenyl)sulfonyl-2-phenylpyrrol-3-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=C2C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])C

DOS

IR

Vibrations