Geometry & MOs

Info

ID:	431870
PubChem CID:	135171991
Reduced:	SN2O4C25H40 (1)
Stoich.:	AB2C4D25E40 (1)
Weight, g/mol:	476.224597
ΔH_f, kcal/mol:	-208.92
Dipole, Da:	9.36
IP(EA), eV:	-8.55(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C(C)CC(=O)O)NC3CCS(=O)(=O)CC3

DOS

IR

Vibrations