Geometry & MOs

Info

ID:	388925
PubChem CID:	134990623
Reduced:	SN3O5C19H21 (1)
Stoich.:	AB3C5D19E21 (1)
Weight, g/mol:	380.96704
ΔH_f, kcal/mol:	-126.55
Dipole, Da:	3.03
IP(EA), eV:	-9.8(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-bromo-5-methoxyphenyl)sulfanyl-3-nitrophenyl]ethanone

Drug info:

PubChemData

Smile

CC1C(C(=NO1)C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O

DOS

IR

Vibrations