Geometry & MOs

Info

ID:	137354
PubChem CID:	52195354
Reduced:	N3O3C20H23 (1)
Stoich.:	A3B3C20D23 (1)
Weight, g/mol:	356.156992
ΔH_f, kcal/mol:	-63.78
Dipole, Da:	5.59
IP(EA), eV:	-9.07(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2R)-1-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

COCC1=CC=C(C=C1)CNC(=O)NC2=CC=CC(=C2)C(=O)NC3CC3

DOS

IR

Vibrations