Geometry & MOs

Info

ID:

170121

PubChem CID:

75198866

Reduced:

S2F3N3O3H16C19 (1)

Stoich.:

A2B3C3D3E16F19 (1)

Weight, g/mol:

504.277027

ΔHf, kcal/mol:

-198.32

Dipole, Da:

6.34

IP(EA), eV:

 -9.11(-1.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC3=NC(=NC(=O)C23)CSCC(=O)NC4=CC(=CC=C4)OC(F)(F)F

DOS

IR

Vibrations