Geometry & MOs

Info

ID:	127571
PubChem CID:	51007005
Reduced:	O2C19H30 (1)
Stoich.:	A2B19C30 (1)
Weight, g/mol:	391.18173
ΔH_f, kcal/mol:	-102.59
Dipole, Da:	1.6
IP(EA), eV:	-9.66(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1S,4R,7S)-4-(4-methylphenyl)sulfonyl-7-propyl-2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C\CC[C@@]1([C@@H]2CC[C@@H](C2)C1=C)C)/C(C)C

DOS

IR

Vibrations