Geometry & MOs

Info

ID:	426731
PubChem CID:	135153604
Reduced:	OSF3N3H10C12 (1)
Stoich.:	ABC3D3E10F12 (1)
Weight, g/mol:	352.199822
ΔH_f, kcal/mol:	-107.64
Dipole, Da:	3.41
IP(EA), eV:	-9.52(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[4-[[(2R)-2-methoxypropyl]-(2-methylpropyl)amino]-3-nitrophenyl]butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)N(C)C(=O)C2=C(N=NS2)C(F)F

DOS

IR

Vibrations