Geometry & MOs

Info

ID:	157386
PubChem CID:	56423150
Reduced:	N4O7C22H24 (1)
Stoich.:	A4B7C22D24 (1)
Weight, g/mol:	373.138619
ΔH_f, kcal/mol:	-199.21
Dipole, Da:	5.32
IP(EA), eV:	-8.54(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 3-(1H-indazole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)NC(=O)COC(=O)CCNC(=O)C2=NNC3=CC=CC=C32

DOS

IR

Vibrations