Geometry & MOs

Info

ID:	307141
PubChem CID:	125274978
Reduced:	SO2N3H19C22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	324.104482
ΔH_f, kcal/mol:	39.76
Dipole, Da:	3.18
IP(EA), eV:	-8.98(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,7aS)-6-amino-4-[(1S)-cyclohex-2-en-1-yl]-3-thiophen-2-yl-4,7a-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

CCCN1C(=O)/C(=C/C2=C3C=CC=CC3=NC2)/C(=O)N(C1=S)C4=CC=CC=C4

DOS

IR

Vibrations