Geometry & MOs

Info

ID:	38074
PubChem CID:	8026808
Reduced:	SO3N4C19H23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	390.115047
ΔH_f, kcal/mol:	-30.11
Dipole, Da:	7.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.772642
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-6-amino-2-imino-4-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile

Drug info:

PubChemData

Smile

C[NH+](CC1=CC(=CC=C1)S(=O)(=O)N(C)C)CC2=NC(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations