Geometry & MOs

Info

ID:	441033
PubChem CID:	135232774
Reduced:	NSO5C19H19 (1)
Stoich.:	ABC5D19E19 (1)
Weight, g/mol:	365.177313
ΔH_f, kcal/mol:	-127.67
Dipole, Da:	4.31
IP(EA), eV:	-8.53(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(4-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydropyrrol-5-yl]methyl]-4-methylpiperazine

Drug info:

PubChemData

Smile

CC1=C(N(CC1)S(=O)(=O)C2=CC=C(C=C2)OC)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations