Geometry & MOs

Info

ID:	432080
PubChem CID:	135172212
Reduced:	SC9H14 (1)
Stoich.:	AB9C14 (1)
Weight, g/mol:	483.309707
ΔH_f, kcal/mol:	2.58
Dipole, Da:	2.16
IP(EA), eV:	-8.46(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[4-[(4-methoxycyclohexyl)-(2-methylpropyl)amino]-3-[[5-(methoxymethyl)pyridin-2-yl]amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1C=CC(=C)S1

DOS

IR

Vibrations