Geometry & MOs

Info

ID:	157182
PubChem CID:	56422365
Reduced:	N5O5C22H23 (1)
Stoich.:	A5B5C22D23 (1)
Weight, g/mol:	415.185569
ΔH_f, kcal/mol:	-138.56
Dipole, Da:	7.39
IP(EA), eV:	-9.39(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC(=O)NCC1=CC=CC=C1)OC(=O)CCNC(=O)C2=NNC3=CC=CC=C32

DOS

IR

Vibrations