Geometry & MOs

Info

ID:	157084
PubChem CID:	56422106
Reduced:	ClN4O4C21H21 (1)
Stoich.:	AB4C4D21E21 (1)
Weight, g/mol:	422.15902
ΔH_f, kcal/mol:	-113.0
Dipole, Da:	8.88
IP(EA), eV:	-8.79(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-acetylanilino)-1-oxopropan-2-yl] 3-(1H-indazole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)C(C)OC(=O)CCNC(=O)C2=NNC3=CC=CC=C32

DOS

IR

Vibrations