Geometry & MOs

Info

ID:	387125
PubChem CID:	134984098
Reduced:	NO3C12H13 (2)
Stoich.:	AB3C12D13 (2)
Weight, g/mol:	480.226037
ΔH_f, kcal/mol:	-172.62
Dipole, Da:	2.36
IP(EA), eV:	-8.74(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)O[C@](C)(C#C)[C@@H](C(=O)NCC(=O)OC)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations