Geometry & MOs

Info

ID:	162244
PubChem CID:	57394039
Reduced:	SN3O7C21H21 (1)
Stoich.:	AB3C7D21E21 (1)
Weight, g/mol:	532.262046
ΔH_f, kcal/mol:	-168.69
Dipole, Da:	5.04
IP(EA), eV:	-9.57(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[4-[4-(diethylamino)butylamino]-6,7-diphenyl-7H-pyrimido[4,5-b][1,4]thiazin-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)C3=C(O2)C=CC(=C3)C4=NOC(=N4)COC

DOS

IR

Vibrations