Geometry & MOs

Info

ID:	33284
PubChem CID:	7885831
Reduced:	SO2N3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	416.086449
ΔH_f, kcal/mol:	-62.26
Dipole, Da:	3.78
IP(EA), eV:	-8.67(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H]1CCCCN1C(=O)CN2C=NC3=C(C2=O)C4=C(S3)CCC4

DOS

IR

Vibrations