Geometry & MOs

Info

ID:	197698
PubChem CID:	78987673
Reduced:	BrNO2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	350.99286
ΔH_f, kcal/mol:	-86.19
Dipole, Da:	1.13
IP(EA), eV:	-9.28(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-methoxy-N-(2-methylsulfanylphenyl)benzamide

Drug info:

PubChemData

Smile

CCCCCC(C)NC(=O)C1=C(C=C(C=C1)Br)OC

DOS

IR

Vibrations