Geometry & MOs

Info

ID:	32060
PubChem CID:	4262837
Reduced:	ClSN5O5C23H24 (1)
Stoich.:	ABC5D5E23F24 (1)
Weight, g/mol:	390.18559
ΔH_f, kcal/mol:	-69.16
Dipole, Da:	6.76
IP(EA), eV:	-8.99(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-adamantyl)-6-amino-4-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

C1COCCN1CCN2C(=O)C(SC2=NC3=CC=CC=C3)CC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])Cl

DOS

IR

Vibrations