Geometry & MOs

Info

ID:	229906
PubChem CID:	87569487
Reduced:	SN4O5C34H42 (1)
Stoich.:	AB4C5D34E42 (1)
Weight, g/mol:	291.038771
ΔH_f, kcal/mol:	-115.86
Dipole, Da:	10.65
IP(EA), eV:	-8.88(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-amino-2-methylphenyl)disulfanyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1CCC(CC1)CCN2CCCC2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C4=CC=CC=C4)OC5=CC=CC=C5

DOS

IR

Vibrations