Geometry & MOs

Info

ID:	431991
PubChem CID:	135172119
Reduced:	O3N4C31H36 (1)
Stoich.:	A3B4C31D36 (1)
Weight, g/mol:	464.224597
ΔH_f, kcal/mol:	-55.26
Dipole, Da:	5.53
IP(EA), eV:	-8.04(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C3=CC=CC=C3C(=O)O)NC4=NC5=C(N4)C=C(C=C5)OC

DOS

IR

Vibrations