Geometry & MOs

Info

ID:	157327
PubChem CID:	56422885
Reduced:	N2O2C9H11 (2)
Stoich.:	A2B2C9D11 (2)
Weight, g/mol:	480.131281
ΔH_f, kcal/mol:	-130.9
Dipole, Da:	5.9
IP(EA), eV:	-9.35(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl] 3-(1H-indazole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)COC(=O)CCNC(=O)C2=NNC3=CC=CC=C32

DOS

IR

Vibrations