Geometry & MOs

Info

ID:	427361
PubChem CID:	135157643
Reduced:	NSC12H15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	459.242101
ΔH_f, kcal/mol:	20.36
Dipole, Da:	2.45
IP(EA), eV:	-8.89(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S,4S)-5-[4-(3-fluorophenyl)phenyl]-2-(2-hydroxyethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

Drug info:

PubChemData

Smile

CC(C)(C)CC1=C2C(=CC=C1)N=CS2

DOS

IR

Vibrations