Geometry & MOs

Info

ID:	26339
PubChem CID:	645038
Reduced:	O2S2N4H20C21 (1)
Stoich.:	A2B2C4D20E21 (1)
Weight, g/mol:	412.130218
ΔH_f, kcal/mol:	38.22
Dipole, Da:	6.03
IP(EA), eV:	-8.8(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-amino-4-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC3=CC=CS3)C4=C(OC=C4)C

DOS

IR

Vibrations