Geometry & MOs

Info

ID:	387472
PubChem CID:	134985502
Reduced:	ClNPO4C19H23 (1)
Stoich.:	ABCD4E19F23 (1)
Weight, g/mol:	466.210387
ΔH_f, kcal/mol:	-156.25
Dipole, Da:	2.91
IP(EA), eV:	-8.78(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[(2S,3R)-3-methyl-3-phenoxy-2-(phenylmethoxycarbonylamino)pent-4-ynoyl]amino]acetate

Drug info:

PubChemData

Smile

CCOP(=O)(C1(C(N1C2=CC=CC=C2)C3=CC=C(C=C3)OC)Cl)OCC

DOS

IR

Vibrations