Geometry & MOs

Info

ID:	35299
PubChem CID:	7979652
Reduced:	BrClNO3H13C15 (1)
Stoich.:	ABCD3E13F15 (1)
Weight, g/mol:	350.99286
ΔH_f, kcal/mol:	-89.17
Dipole, Da:	2.8
IP(EA), eV:	-8.68(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)COC2=C(C=C(C=C2)Cl)Br)O

DOS

IR

Vibrations