Geometry & MOs

Info

ID:	401808
PubChem CID:	135052702
Reduced:	NO3C7H13 (1)
Stoich.:	AB3C7D13 (1)
Weight, g/mol:	331.070071
ΔH_f, kcal/mol:	-115.14
Dipole, Da:	2.23
IP(EA), eV:	-9.82(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(dimethylamino)benzenecarbothioyl]sulfanyl-2-phenylacetic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)C)C(=O)NO

DOS

IR

Vibrations