Geometry & MOs

Info

ID:	150996
PubChem CID:	53790693
Reduced:	ClN3O7C39H50 (1)
Stoich.:	AB3C7D39E50 (1)
Weight, g/mol:	409.055484
ΔH_f, kcal/mol:	-200.04
Dipole, Da:	3.97
IP(EA), eV:	-8.36(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzenesulfonyl)-2-(1-methyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)acetyl cyanide

Drug info:

PubChemData

Smile

CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NCC(C)(C)C(=O)C(C(=O)NC2=CC=CC=C2)(OC3=CC=C(C=C3)[N+](=O)[O-])Cl)C(C)(C)CC

DOS

IR

Vibrations