Geometry & MOs

Info

ID:

223718

PubChem CID:

85335473

Reduced:

SF2N3O4H25C26 (1)

Stoich.:

AB2C3D4E25F26 (1)

Weight, g/mol:

521.17512

ΔHf, kcal/mol:

-126.85

Dipole, Da:

1.92

IP(EA), eV:

 -9.23(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[7-chloro-3-(4-methoxyphenyl)-4-oxo-1,2,4a,5,6,7,8,8a-octahydroquinazolin-2-yl]ethyl]-4-methoxy-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1CN(CCN1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=C(C=C4)C=CC(=O)NO

DOS

IR

Vibrations