Geometry & MOs

Info

ID:	154061
PubChem CID:	56313446
Reduced:	NSO2C11H12 (2)
Stoich.:	ABC2D11E12 (2)
Weight, g/mol:	403.05071
ΔH_f, kcal/mol:	-96.16
Dipole, Da:	2.8
IP(EA), eV:	-8.37(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromophenyl)methyl]-N-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CN(C)C(=O)C2=C(C=CS2)S(=O)(=O)NC3=CC=C(C=C3)C

DOS

IR

Vibrations