Geometry & MOs

Info

ID:	33394
PubChem CID:	7886238
Reduced:	SN2O4H18C22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	397.128255
ΔH_f, kcal/mol:	-54.27
Dipole, Da:	6.01
IP(EA), eV:	-8.76(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4)OC

DOS

IR

Vibrations