Geometry & MOs

Info

ID:	80820
PubChem CID:	49846233
Reduced:	ClSN2O7C20H21 (1)
Stoich.:	ABC2D7E20F21 (1)
Weight, g/mol:	384.107854
ΔH_f, kcal/mol:	-210.18
Dipole, Da:	4.36
IP(EA), eV:	-9.33(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylphenyl)methyl N-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl]-N-methylcarbamodithioate

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)Cl)CC2=NN=C(S2)C3=CC=CO3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

DOS

IR

Vibrations