Geometry & MOs

Info

ID:	287871
PubChem CID:	104296904
Reduced:	BrFOSN2H12C15 (1)
Stoich.:	ABCDE2F12G15 (1)
Weight, g/mol:	362.00885
ΔH_f, kcal/mol:	-35.11
Dipole, Da:	2.74
IP(EA), eV:	-8.98(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(3-carbamothioylphenyl)methyl]-3-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C(=CC=C2)F)C(=S)N)Br

DOS

IR

Vibrations