Geometry & MOs

Info

ID:	70563
PubChem CID:	48413519
Reduced:	N3O3C20H35 (1)
Stoich.:	A3B3C20D35 (1)
Weight, g/mol:	402.208947
ΔH_f, kcal/mol:	-171.89
Dipole, Da:	5.29
IP(EA), eV:	-8.7(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(diethylamino)pentan-2-yl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)CCCC(C)NC(=O)C1=C(C(=C(N1)C)C(=O)OC(C)C)C

DOS

IR

Vibrations