Geometry & MOs

Info

ID:	437591
PubChem CID:	135226638
Reduced:	N2S3O5H30C49 (1)
Stoich.:	A2B3C5D30E49 (1)
Weight, g/mol:	321.96631
ΔH_f, kcal/mol:	26.57
Dipole, Da:	2.46
IP(EA), eV:	-8.91(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-bromophenyl)sulfanyl-4-methylphenyl] formate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2(=O)=O)C4=CC=C(C=C4)C5=CC6=C(C=C5)SC7=C(C6=O)C=CC(=C7)C8=CC=C(C=C8)N9C1=CC=CC=C1S(=O)(=O)C1=CC=CC=C19

DOS

IR

Vibrations