Geometry & MOs

Info

ID:	403888
PubChem CID:	135062371
Reduced:	NSO2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	460.109293
ΔH_f, kcal/mol:	-18.28
Dipole, Da:	7.39
IP(EA), eV:	-9.11(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methyl-1-(4-methylphenyl)sulfonyl-2-phenylpyrrol-3-yl]-(4-nitrophenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC3[C@H]4C3(C2)[C@@H]5C[C@@H]5C4

DOS

IR

Vibrations