Geometry & MOs

Info

ID:	46633
PubChem CID:	10525771
Reduced:	N3O4H19C24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	413.061632
ΔH_f, kcal/mol:	-74.56
Dipole, Da:	5.75
IP(EA), eV:	-9.5(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-N-(benzenesulfonyl)-3-benzylsulfanyl-4-cyanopyrazole-1-carboxamide

Drug info:

PubChemData

Smile

CCC1(C2=C(COC1=O)C(=O)N3CC4=C5CCCC6=C(C=CC(=C56)N=C4C3=C2)C#N)O

DOS

IR

Vibrations