Geometry & MOs

Info

ID:	319004
PubChem CID:	126654104
Reduced:	O2N5C10H11 (1)
Stoich.:	A2B5C10D11 (1)
Weight, g/mol:	358.137616
ΔH_f, kcal/mol:	19.13
Dipole, Da:	2.83
IP(EA), eV:	-9.07(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropoxy]-3-hydroxybutanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN(N=C1N)C2=CC=CC=N2

DOS

IR

Vibrations