Geometry & MOs

Info

ID:	432038
PubChem CID:	135172170
Reduced:	ON2C8H12 (3)
Stoich.:	AB2C8D12 (3)
Weight, g/mol:	422.154325
ΔH_f, kcal/mol:	-66.45
Dipole, Da:	7.96
IP(EA), eV:	-8.88(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-2-[4-[bis(2-methylpropyl)amino]-3-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]phenyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCC[C@H](CCO)N(CC(C)C)C1=C(C=C(C=C1)[C@H](C)CC(=O)O)NC2=NNC(=N2)C#N

DOS

IR

Vibrations