Geometry & MOs

Info

ID:	40368
PubChem CID:	8144003
Reduced:	S2N5C21H25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	337.143129
ΔH_f, kcal/mol:	104.9
Dipole, Da:	5.55
IP(EA), eV:	-8.28(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-[2-(diethylamino)-2-oxoethyl]-methylazanium

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC2=NN(C(=S)S2)CN3CCN(CC3)C4=CC=CC=C4)C

DOS

IR

Vibrations