Geometry & MOs

Info

ID:

441988

PubChem CID:

135247426

Reduced:

N2H19C27 (2)

Stoich.:

A2B19C27 (2)

Weight, g/mol:

428.051207

ΔHf, kcal/mol:

269.42

Dipole, Da:

5.56

IP(EA), eV:

 -8.19(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(4-fluorophenyl)-2,2-dimethyl-7-[methylsulfonyl(sulfino)amino]-3-oxo-1,4-benzoxazine

Drug info:

PubChemData

Smile

CC12C=C(C=CC1C3=CC=CC4=C3N2C5=CC=CC=C45)C6=CC=C(C=C6)C7=C(C8=CC=CC=C8C9=CC=CC=C97)C1=NC(N=C(N1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations