Geometry & MOs

Info

ID:	33762
PubChem CID:	7887988
Reduced:	N2S2O3H16C18 (1)
Stoich.:	A2B2C3D16E18 (1)
Weight, g/mol:	351.071134
ΔH_f, kcal/mol:	-48.85
Dipole, Da:	1.5
IP(EA), eV:	-8.61(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]acetyl]carbamate

Drug info:

PubChemData

Smile

CC1=NC2=C(C3=C(S2)CCC3)C(=N1)SCC(=O)C4=CC(=C(C=C4)O)O

DOS

IR

Vibrations