Geometry & MOs

Info

ID:	49330
PubChem CID:	11532862
Reduced:	ClSO2N3C25H26 (1)
Stoich.:	ABC2D3E25F26 (1)
Weight, g/mol:	467.019736
ΔH_f, kcal/mol:	-37.77
Dipole, Da:	1.87
IP(EA), eV:	-8.44(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-amino-3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-(cyclopropylmethyl)methanesulfonamide

Drug info:

PubChemData

Smile

CC1(CSC2=C(C(=O)N1CC3=CC=C(C=C3)Cl)NC4=CC=CC=C42)C(=O)NC5CCCC5

DOS

IR

Vibrations