Geometry & MOs

Info

ID:	307241
PubChem CID:	125292658
Reduced:	N2O4H26C27 (1)
Stoich.:	A2B4C26D27 (1)
Weight, g/mol:	439.167811
ΔH_f, kcal/mol:	-79.0
Dipole, Da:	7.46
IP(EA), eV:	-8.81(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-6-amino-5-cyano-3-[(4-methylphenyl)sulfanylmethyl]spiro[3H-pyrano[2,3-c]pyrazole-4,4'-piperidine]-1'-carboxylate

Drug info:

PubChemData

Smile

CC1=C(OC2=CC3=C(C=C12)C(=C(C(=O)O3)CCC(=O)NCCC4=C5C=CC=CC5=NC4)C)C

DOS

IR

Vibrations