Geometry & MOs

Info

ID:	188119
PubChem CID:	77668196
Reduced:	N2O3H6C9 (1)
Stoich.:	A2B3C6D9 (1)
Weight, g/mol:	435.146407
ΔH_f, kcal/mol:	-38.88
Dipole, Da:	4.45
IP(EA), eV:	-10.24(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

C1=NC=NC2=CC(=CC(=O)C21)C(=O)O

DOS

IR

Vibrations