Geometry & MOs

Info

ID:	67417
PubChem CID:	46506442
Reduced:	S2N3O3C20H25 (1)
Stoich.:	A2B3C3D20E25 (1)
Weight, g/mol:	417.118084
ΔH_f, kcal/mol:	-104.66
Dipole, Da:	8.16
IP(EA), eV:	-8.9(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxolan-2-ylmethyl)-5-(4-oxo-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-3-yl)pentanamide

Drug info:

PubChemData

Smile

CCOCCCNC(=O)CCCCN1C(=O)C2=C(C3=CC=CC=C3S2)NC1=S

DOS

IR

Vibrations