Geometry & MOs

Info

ID:	78521
PubChem CID:	49693464
Reduced:	SN3O4C20H31 (1)
Stoich.:	AB3C4D20E31 (1)
Weight, g/mol:	415.156577
ΔH_f, kcal/mol:	-171.07
Dipole, Da:	3.21
IP(EA), eV:	-9.65(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-ethyl-4-(2-methyl-3-oxopiperazine-1-carbonyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCCCN(CCCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCNC(=O)C2C

DOS

IR

Vibrations