Geometry & MOs

Info

ID:	172016
PubChem CID:	75455223
Reduced:	ClS2N4H11C13 (1)
Stoich.:	AB2C4D11E13 (1)
Weight, g/mol:	420.204052
ΔH_f, kcal/mol:	107.75
Dipole, Da:	4.93
IP(EA), eV:	-9.04(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-chloro-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]quinazolin-4-yl]-methylamino]-N,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CN(CC1=NC=CS1)C2=NN=C(S2)C3=CC=CC=C3Cl

DOS

IR

Vibrations