Geometry & MOs

Info

ID:	227064
PubChem CID:	87560001
Reduced:	Cl2N3O5C27H29 (1)
Stoich.:	A2B3C5D27E29 (1)
Weight, g/mol:	248.116092
ΔH_f, kcal/mol:	-128.91
Dipole, Da:	2.12
IP(EA), eV:	-8.26(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dioxopyrrol-1-yl)-N-prop-2-ynylhexanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCNC(=O)CC2C(=O)N(CC(=O)N2CC#C)CCC3=C(C=C(C=C3)Cl)Cl)OC

DOS

IR

Vibrations