Geometry & MOs

Info

ID:	219432
PubChem CID:	85148660
Reduced:	NSO5C29H33 (1)
Stoich.:	ABC5D29E33 (1)
Weight, g/mol:	507.330836
ΔH_f, kcal/mol:	-160.37
Dipole, Da:	4.58
IP(EA), eV:	-8.36(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-hydroxy-6-methyl-5-[3-(4-oxidomorpholin-4-ium-4-yl)propylcarbamoyl]-1-phenylheptan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C2=NC3=C(S2)CCCC3)OCCCOC4=CC5=C(C=C4)C(CC5)CC(=O)O

DOS

IR

Vibrations