Geometry & MOs

Info

ID:	206275
PubChem CID:	80225528
Reduced:	SN3O3C14H21 (1)
Stoich.:	AB3C3D14E21 (1)
Weight, g/mol:	375.02523
ΔH_f, kcal/mol:	-114.39
Dipole, Da:	7.34
IP(EA), eV:	-8.88(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-amino-2-bromophenyl)sulfonyl-1,3,3-trimethylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N)S(=O)(=O)N2CCN(C(=O)C2(C)C)C

DOS

IR

Vibrations