Geometry & MOs

Info

ID:	155710
PubChem CID:	56367100
Reduced:	BrO2S2N3H14C17 (1)
Stoich.:	AB2C2D3E14F17 (1)
Weight, g/mol:	422.02998
ΔH_f, kcal/mol:	-5.62
Dipole, Da:	6.84
IP(EA), eV:	-8.95(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-bromophenyl)-2-(4-ethoxyphenyl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=CS2)C(=O)NC3=C(C=CC(=C3)Br)NC(=O)C

DOS

IR

Vibrations