Geometry & MOs

Info

ID:	431867
PubChem CID:	135171988
Reduced:	ON2C14H16 (2)
Stoich.:	AB2C14D16 (2)
Weight, g/mol:	438.208947
ΔH_f, kcal/mol:	-12.35
Dipole, Da:	3.46
IP(EA), eV:	-8.76(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[bis(2-methylpropyl)amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]phenyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)C)C1=C(C=C(C=C1)C2=CC=CC=C2C(=O)O)NC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations