Geometry & MOs

Info

ID:	176292
PubChem CID:	76028207
Reduced:	SN3O4C18H21 (1)
Stoich.:	AB3C4D18E21 (1)
Weight, g/mol:	486.24131
ΔH_f, kcal/mol:	-77.79
Dipole, Da:	4.64
IP(EA), eV:	-8.93(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methylimidazol-2-yl)methyl]-4-morpholin-4-yl-8-oxo-11-thia-1,3-diazatetracyclo[8.7.0.02,7.012,17]heptadec-9-ene-9-carboxamide

Drug info:

PubChemData

Smile

CCSC(=CC1C(C1(C)C)C(=O)OCN2C(=O)CN(C2=O)CC#C)C#N

DOS

IR

Vibrations