Geometry & MOs

Info

ID:	43848
PubChem CID:	10321878
Reduced:	N5O6C21H39 (1)
Stoich.:	A5B6C21D39 (1)
Weight, g/mol:	457.192294
ΔH_f, kcal/mol:	-316.47
Dipole, Da:	8.13
IP(EA), eV:	-9.46(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S,3R,4S)-1,7,7-trimethyl-3-[(4-methylphenyl)sulfonylamino]-2-bicyclo[2.2.1]heptanyl] (2R)-2-hydroxy-2-phenylacetate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)C(CCCCN)C(=O)N[C@H](C(C)O)N

DOS

IR

Vibrations