Geometry & MOs

Info

ID:	288915
PubChem CID:	104328407
Reduced:	SN2O2H14C16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	236.116092
ΔH_f, kcal/mol:	-29.32
Dipole, Da:	7.17
IP(EA), eV:	-8.79(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-amino-4-oxobutyl)amino]-2-methylbenzoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(S2)NC3=CC(=C(C=C3)C(=O)O)C

DOS

IR

Vibrations