Geometry & MOs

Info

ID:	90057
PubChem CID:	49966043
Reduced:	ClOSN3H14C15 (1)
Stoich.:	ABCD3E14F15 (1)
Weight, g/mol:	360.103397
ΔH_f, kcal/mol:	8.44
Dipole, Da:	5.99
IP(EA), eV:	-8.69(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[6-amino-5-cyano-4-(2,6-difluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetate

Drug info:

PubChemData

Smile

CC(C)NC1=C(C(=C(S1)C(=O)C2=CC=C(C=C2)Cl)N)C#N

DOS

IR

Vibrations