Geometry & MOs

Info

ID:	431954
PubChem CID:	135172082
Reduced:	SO2N3C24H35 (1)
Stoich.:	AB2C3D24E35 (1)
Weight, g/mol:	388.218449
ΔH_f, kcal/mol:	-56.63
Dipole, Da:	6.41
IP(EA), eV:	-8.4(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[bis(2-methylpropyl)amino]-3-(thiophen-3-ylamino)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=NC(=CS2)C3CC3

DOS

IR

Vibrations