Geometry & MOs

Info

ID:	58502
PubChem CID:	24702080
Reduced:	BrNO2H14C15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	284.098334
ΔH_f, kcal/mol:	-55.73
Dipole, Da:	3.99
IP(EA), eV:	-8.59(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-carbamothioyl-N-(3-ethylphenyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC=CC(=C2O)C)Br

DOS

IR

Vibrations