Geometry & MOs

Info

ID:	28520
PubChem CID:	828082
Reduced:	OSN2H16C21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	336.195011
ΔH_f, kcal/mol:	47.08
Dipole, Da:	5.3
IP(EA), eV:	-8.2(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-6-amino-3-methyl-4-(2,4,6-triethylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C(SC2=N1)C(=O)C3=CC=CC=C3)N)C4=CC=CC=C4

DOS

IR

Vibrations