Geometry & MOs

Info

ID:	426639
PubChem CID:	135153074
Reduced:	ClOSN3F4H6C11 (1)
Stoich.:	ABCD3E4F6G11 (1)
Weight, g/mol:	446.208469
ΔH_f, kcal/mol:	-173.4
Dipole, Da:	3.87
IP(EA), eV:	-9.75(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[3-[(6-chloropyridazin-3-yl)amino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC(=O)C2=C(N=NS2)CCl)C(F)(F)F)F

DOS

IR

Vibrations