Geometry & MOs

Info

ID:	267370
PubChem CID:	103582027
Reduced:	BrNO2H16C17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	362.00885
ΔH_f, kcal/mol:	-49.31
Dipole, Da:	2.97
IP(EA), eV:	-8.89(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3,5-dimethylphenyl)-4-carbamothioylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NC(=O)C2=CC3=C(COC3)C=C2

DOS

IR

Vibrations