Geometry & MOs

Info

ID:	37849
PubChem CID:	8025100
Reduced:	SO2N3H15C19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	403.102434
ΔH_f, kcal/mol:	50.47
Dipole, Da:	4.0
IP(EA), eV:	-9.14(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(furan-2-ylmethyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=CC(=N2)C(=O)N(CC3=CC=CO3)CC4=CC=CS4

DOS

IR

Vibrations