Geometry & MOs

Info

ID:	157075
PubChem CID:	56422094
Reduced:	N5O5H25C27 (1)
Stoich.:	A5B5C25D27 (1)
Weight, g/mol:	399.190654
ΔH_f, kcal/mol:	-67.39
Dipole, Da:	3.72
IP(EA), eV:	-8.9(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] 3-(1H-indazole-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)COC(=O)CCNC(=O)C4=NNC5=CC=CC=C54

DOS

IR

Vibrations