Geometry & MOs

Info

ID:	70551
PubChem CID:	48413498
Reduced:	ON5C23H31 (1)
Stoich.:	AB5C23D31 (1)
Weight, g/mol:	390.208947
ΔH_f, kcal/mol:	31.24
Dipole, Da:	5.27
IP(EA), eV:	-8.58(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)CCCC(C)NC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=N2

DOS

IR

Vibrations