Geometry & MOs

Info

ID:	165033
PubChem CID:	74487803
Reduced:	O3N4C21H33 (1)
Stoich.:	A3B4C21D33 (1)
Weight, g/mol:	483.230411
ΔH_f, kcal/mol:	-89.19
Dipole, Da:	16.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757387
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclohex-3-en-1-ylmethylamino)-N-[(5-methylpyrazolidin-3-yl)methyl]-5-(phenylsulfamoyl)benzamide

Drug info:

PubChemData

Smile

CC(C)CN1C(=O)N(C(=O)C12CC[NH+](CC2)C(C)CCO)CC3=CC=CC=N3

DOS

IR

Vibrations