Geometry & MOs

Info

ID:	387124
PubChem CID:	134984094
Reduced:	ClNC18H18 (1)
Stoich.:	ABC18D18 (1)
Weight, g/mol:	438.179087
ΔH_f, kcal/mol:	74.84
Dipole, Da:	1.46
IP(EA), eV:	-8.7(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CCC[C@H]1[C@H](N1C2=CC=CC=C2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations