Geometry & MOs

Info

ID:	394780
PubChem CID:	135023802
Reduced:	SO3N5H19C22 (1)
Stoich.:	AB3C5D19E22 (1)
Weight, g/mol:	577.413109
ΔH_f, kcal/mol:	114.64
Dipole, Da:	4.72
IP(EA), eV:	-8.32(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2,5,7,8-tetramethyl-6-[4-[(E)-2-nitroethenyl]phenoxy]-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C3(C4=CC=CC=C4NC3=O)C(=C(N2C)SC)[N+](=O)[O-])C5=CC=CC=C5

DOS

IR

Vibrations