Geometry & MOs

Info

ID:	151353
PubChem CID:	53801123
Reduced:	OC9H16 (1)
Stoich.:	AB9C16 (1)
Weight, g/mol:	464.224597
ΔH_f, kcal/mol:	-29.87
Dipole, Da:	2.59
IP(EA), eV:	-9.68(1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[3-[(2-amino-3-sulfanylpropyl)amino]-6-phenylpyridin-2-yl]oxy-N-[1-(3-methylphenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC[C@H]1[C@@H](O1)CC/C=C/C

DOS

IR

Vibrations