Geometry & MOs

Info

ID:	387202
PubChem CID:	134984395
Reduced:	N2O7C24H24 (1)
Stoich.:	A2B7C24D24 (1)
Weight, g/mol:	494.205301
ΔH_f, kcal/mol:	-191.4
Dipole, Da:	2.35
IP(EA), eV:	-9.41(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@](C#C)([C@@H](C(=O)NCC(=O)OC)NC(=O)OCC1=CC=CC=C1)OC2=CC=C(C=C2)C=O

DOS

IR

Vibrations