Geometry & MOs

Info

ID:

398813

PubChem CID:

135035560

Reduced:

N2O4C19H22 (1)

Stoich.:

A2B4C19D22 (1)

Weight, g/mol:

469.221286

ΔHf, kcal/mol:

-136.91

Dipole, Da:

5.01

IP(EA), eV:

 -8.88(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (NZ)-N-[3a-hydroxy-6a-[(4-methoxyphenyl)methyl]-1,3-dimethyl-6'-oxospiro[6H-furo[2,3-d]imidazole-5,3'-cyclohexa-1,4-diene]-2-ylidene]carbamate

Drug info:

PubChemData

Smile

CN1C(=O)N[C@@H](C1(CC2=CC=C(C=C2)OC)O)CC3=CC=C(C=C3)O

DOS

IR

Vibrations