Geometry & MOs

Info

ID:	193301
PubChem CID:	78373904
Reduced:	SN2O5C9H12 (1)
Stoich.:	AB2C5D9E12 (1)
Weight, g/mol:	407.159354
ΔH_f, kcal/mol:	-179.88
Dipole, Da:	4.97
IP(EA), eV:	-9.87(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-3-(3-ethoxyphenyl)-4-(4-nitrophenyl)-1,2,3,3a,4,7a-hexahydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC(=O)NC1CSCC(=O)O

DOS

IR

Vibrations