Geometry & MOs

Info

ID:

402965

PubChem CID:

135058097

Reduced:

S2N4O13C26H30 (1)

Stoich.:

A2B4C13D26E30 (1)

Weight, g/mol:

436.204531

ΔHf, kcal/mol:

-454.99

Dipole, Da:

4.15

IP(EA), eV:

 -9.39(-1.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-(dimethylaminomethylidene)-9,11-dimethyl-2-(4-methylphenyl)-4-phenyl-1-thia-3,4,6,10,11-pentazaspiro[4.6]undec-2-en-7-one

Drug info:

PubChemData

Smile

CC(=O)N1C2(NC(C(S2)OC(=O)C)[C@@H]([C@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)SC(=N1)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations