Geometry & MOs

Info

ID:	89755
PubChem CID:	49964364
Reduced:	ClSN3O4C22H25 (1)
Stoich.:	ABC3D4E22F25 (1)
Weight, g/mol:	383.141596
ΔH_f, kcal/mol:	-95.55
Dipole, Da:	0.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750742
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)sulfonyl-1-(4,6,8-trimethylquinazolin-2-yl)guanidine

Drug info:

PubChemData

Smile

CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CCN4CCOCC4.[Cl-]

DOS

IR

Vibrations