Geometry & MOs

Info

ID:	400146
PubChem CID:	135045960
Reduced:	NSO4C26H31 (1)
Stoich.:	ABC4D26E31 (1)
Weight, g/mol:	421.22868
ΔH_f, kcal/mol:	-115.31
Dipole, Da:	4.62
IP(EA), eV:	-8.87(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S,3R,4S)-3-(benzenesulfonamido)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] (3S)-3,4-dimethylpentanoate

Drug info:

PubChemData

Smile

C/C=C/C(=O)O[C@H]1[C@H]([C@H]2CC[C@@]1(C2(C)C)C)N(C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations