Geometry & MOs

Info

ID:	127759
PubChem CID:	51014045
Reduced:	N3O5C18H25 (1)
Stoich.:	A3B5C18D25 (1)
Weight, g/mol:	629.393407
ΔH_f, kcal/mol:	-159.31
Dipole, Da:	2.99
IP(EA), eV:	-8.11(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,4S)-1-(dicyclohexylsulfamoylmethyl)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl] (3S)-3-[dimethyl(phenyl)silyl]-4-methylpentanoate

Drug info:

PubChemData

Smile

CCOC1=CN=CC(=C1)N2CC[C@@H]3CC[C@H](C2)N3.C(=C/C(=O)O)\C(=O)O

DOS

IR

Vibrations