Geometry & MOs

Info

ID:	33385
PubChem CID:	7886201
Reduced:	SN3O3H17C22 (1)
Stoich.:	AB3C3D17E22 (1)
Weight, g/mol:	378.118418
ΔH_f, kcal/mol:	-32.48
Dipole, Da:	4.49
IP(EA), eV:	-9.29(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(tert-butylcarbamoyl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4

DOS

IR

Vibrations