Geometry & MOs

Info

ID:	393777
PubChem CID:	135021675
Reduced:	S2O5C18H24 (1)
Stoich.:	A2B5C18D24 (1)
Weight, g/mol:	425.210327
ΔH_f, kcal/mol:	-194.64
Dipole, Da:	5.57
IP(EA), eV:	-9.03(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-benzyl-1-methyl-14-morpholin-4-yl-10,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaen-11-one

Drug info:

PubChemData

Smile

CCOC(=S)SC(CC(C)C(=O)C1=CC(=C(C=C1)C)OC)OC(=O)C

DOS

IR

Vibrations