Geometry & MOs

Info

ID:	431955
PubChem CID:	135172083
Reduced:	SN2O2C22H32 (1)
Stoich.:	AB2C2D22E32 (1)
Weight, g/mol:	382.262028
ΔH_f, kcal/mol:	-78.45
Dipole, Da:	5.05
IP(EA), eV:	-8.17(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-anilino-4-[bis(2-methylpropyl)amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)C)C1=C(C=C(C=C1)C(C)CC(=O)O)NC2=CSC=C2

DOS

IR

Vibrations