Geometry & MOs

Info

ID:	157382
PubChem CID:	56423145
Reduced:	N4O4C21H22 (1)
Stoich.:	A4B4C21D22 (1)
Weight, g/mol:	472.185903
ΔH_f, kcal/mol:	-96.85
Dipole, Da:	1.88
IP(EA), eV:	-8.66(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(5-cyclopropyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(1H-indazole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)COC(=O)CCNC(=O)C2=NNC3=CC=CC=C32

DOS

IR

Vibrations