Geometry & MOs

Info

ID:	196057
PubChem CID:	78774635
Reduced:	SCl2O2N3C18H19 (1)
Stoich.:	AB2C2D3E18F19 (1)
Weight, g/mol:	387.161663
ΔH_f, kcal/mol:	-37.47
Dipole, Da:	7.38
IP(EA), eV:	-8.47(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N'-phenylbenzohydrazide

Drug info:

PubChemData

Smile

CSCCC(C(=O)NNC1=CC=CC=C1)NC(=O)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations