Geometry & MOs

Info

ID:	191554
PubChem CID:	78163195
Reduced:	NSO5C23H25 (1)
Stoich.:	ABC5D23E25 (1)
Weight, g/mol:	339.133139
ΔH_f, kcal/mol:	-135.16
Dipole, Da:	7.56
IP(EA), eV:	-9.18(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-diamino-4-(6-methyl-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-3-yl)-6-oxopyridine-3,5-dicarbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(C2CCO)(C(=C)C3=CC4=CC=CC=C4O3)O

DOS

IR

Vibrations