Geometry & MOs

Info

ID:	62536
PubChem CID:	26719845
Reduced:	ClOF3N5H17C18 (1)
Stoich.:	ABC3D5E17F18 (1)
Weight, g/mol:	373.065176
ΔH_f, kcal/mol:	-127.79
Dipole, Da:	7.14
IP(EA), eV:	-9.14(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CCC2=C(N3C(=NC(=N3)C(F)(F)F)N=C2C)C)Cl

DOS

IR

Vibrations