Geometry & MOs

Info

ID:	323186
PubChem CID:	126673316
Reduced:	ClN3O4C12H14 (1)
Stoich.:	AB3C4D12E14 (1)
Weight, g/mol:	662.195042
ΔH_f, kcal/mol:	-164.47
Dipole, Da:	6.63
IP(EA), eV:	-9.43(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-prop-2-ynylpent-4-ynyl (2S)-3-[4-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyphenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)N)C(=O)CC(C(=O)NCC(=O)O)N

DOS

IR

Vibrations