Geometry & MOs

Info

ID:	33386
PubChem CID:	7886209
Reduced:	O2S2N4C17H22 (1)
Stoich.:	A2B2C4D17E22 (1)
Weight, g/mol:	410.087118
ΔH_f, kcal/mol:	-73.26
Dipole, Da:	2.43
IP(EA), eV:	-8.94(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetyl]-1,3-dihydroquinoxalin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)NC(=O)CSC1=NC=NC2=C1C3=C(S2)CCCC3

DOS

IR

Vibrations