Geometry & MOs

Info

ID:	132816
PubChem CID:	51427034
Reduced:	SO2N5C15H15 (1)
Stoich.:	AB2C5D15E15 (1)
Weight, g/mol:	404.148455
ΔH_f, kcal/mol:	39.31
Dipole, Da:	9.4
IP(EA), eV:	-8.86(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,4S)-6-amino-3-phenyl-4-(2,3,4-trimethoxyphenyl)-3a,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)C2=NNC(=C3C=C(C=CC3=O)C)C2

DOS

IR

Vibrations