Geometry & MOs

Info

ID:	29036
PubChem CID:	831264
Reduced:	NSO3C17H19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	315.059696
ΔH_f, kcal/mol:	-105.79
Dipole, Da:	5.78
IP(EA), eV:	-8.74(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations