Geometry & MOs

Info

ID:	146889
PubChem CID:	53766229
Reduced:	OSN5C24H29 (1)
Stoich.:	ABC5D24E29 (1)
Weight, g/mol:	236.036797
ΔH_f, kcal/mol:	32.38
Dipole, Da:	3.03
IP(EA), eV:	-8.13(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfanyl-6-nitroquinazolin-2-amine

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC1=CC=CC=C1)NC2=C(C=CC(=N2)C3=CC=CC=C3)NCC(CS)N

DOS

IR

Vibrations