Geometry & MOs

Info

ID:	194439
PubChem CID:	78535462
Reduced:	NSO2H8C10 (2)
Stoich.:	ABC2D8E10 (2)
Weight, g/mol:	350.147786
ΔH_f, kcal/mol:	-52.3
Dipole, Da:	5.55
IP(EA), eV:	-9.26(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-acetylhydrazinyl)-2-oxoethyl] 3-(3,4-diethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C1=CC=CS1)NC(=O)COC(=O)C2=CC=C(O2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations