Geometry & MOs

Info

ID:	184304
PubChem CID:	77143136
Reduced:	ClFSN3O3C20H21 (1)
Stoich.:	ABCD3E3F20G21 (1)
Weight, g/mol:	373.082934
ΔH_f, kcal/mol:	-127.37
Dipole, Da:	7.13
IP(EA), eV:	-9.07(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(4-chlorobenzoyl)-5-nitro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

CC1(C(=NC(CS1(=O)=O)(C)C2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)Cl)F)N)C

DOS

IR

Vibrations