Geometry & MOs

Info

ID:	403109
PubChem CID:	135058777
Reduced:	BrNSO3H18C21 (1)
Stoich.:	ABCD3E18F21 (1)
Weight, g/mol:	391.064312
ΔH_f, kcal/mol:	-65.27
Dipole, Da:	7.4
IP(EA), eV:	-9.38(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(trifluoromethyl)-3-[[4-(trifluoromethyl)phenyl]carbamoyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=C(C=CC=C2C3=CC=C(C=C3)Br)C

DOS

IR

Vibrations