Geometry & MOs

Info

ID:	431973
PubChem CID:	135172101
Reduced:	SO3N5C22H33 (1)
Stoich.:	AB3C5D22E33 (1)
Weight, g/mol:	390.208947
ΔH_f, kcal/mol:	-110.41
Dipole, Da:	3.11
IP(EA), eV:	-8.57(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[bis(2-methylpropyl)amino]-3-(1,3,4-thiadiazol-2-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=NN=C(S2)CC(=O)N

DOS

IR

Vibrations