Geometry & MOs

Info

ID:	67408
PubChem CID:	46506420
Reduced:	O2S2N3C18H21 (1)
Stoich.:	A2B2C3D18E21 (1)
Weight, g/mol:	377.086784
ΔH_f, kcal/mol:	-59.97
Dipole, Da:	8.57
IP(EA), eV:	-8.86(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-4-(4-oxo-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-3-yl)butanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)CCCN1C(=O)C2=C(C3=CC=CC=C3S2)NC1=S

DOS

IR

Vibrations