Geometry & MOs

Info

ID:	43921
PubChem CID:	10322060
Reduced:	FN3O5C24H32 (1)
Stoich.:	AB3C5D24E32 (1)
Weight, g/mol:	461.220223
ΔH_f, kcal/mol:	-253.91
Dipole, Da:	13.34
IP(EA), eV:	-8.49(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-[3-(hydroxymethyl)phenyl]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1(CCN(C1)C2=C(C=C3C(=C2)N(CC(C3=O)C(=O)O)C4CC4)F)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations