Geometry & MOs

Info

ID:	401547
PubChem CID:	135051602
Reduced:	SH16C24 (1)
Stoich.:	AB16C24 (1)
Weight, g/mol:	310.017891
ΔH_f, kcal/mol:	110.16
Dipole, Da:	0.87
IP(EA), eV:	-8.42(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-(2-methoxyphenyl)sulfanyl-5-nitroaniline

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)/C=C\C4=CSC5=CC=CC=C54

DOS

IR

Vibrations