Geometry & MOs

Info

ID:	33281
PubChem CID:	7885806
Reduced:	SO2N3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	388.102768
ΔH_f, kcal/mol:	-67.49
Dipole, Da:	4.11
IP(EA), eV:	-8.69(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanoethyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)C(=O)CN2C=NC3=C(C2=O)C4=C(S3)CCC4)C

DOS

IR

Vibrations