Geometry & MOs

Info

ID:	432132
PubChem CID:	135172264
Reduced:	SN4O4C24H36 (1)
Stoich.:	AB4C4D24E36 (1)
Weight, g/mol:	434.235162
ΔH_f, kcal/mol:	-156.47
Dipole, Da:	7.52
IP(EA), eV:	-8.41(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[bis(2-methylpropyl)amino]-3-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]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=NC=C(C=C2)NS(=O)(=O)C

DOS

IR

Vibrations