Geometry & MOs

Info

ID:	52584
PubChem CID:	12015510
Reduced:	NSO2H21C23 (1)
Stoich.:	ABC2D21E23 (1)
Weight, g/mol:	299.224915
ΔH_f, kcal/mol:	8.97
Dipole, Da:	5.16
IP(EA), eV:	-9.14(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4aS,7R,8aR)-4,4,7-trimethyl-2-phenyl-3-prop-2-enyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[e][1,3]oxazine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H]3[C@@H]([C@H]2C4=CC=CC=C34)C5=CC=CC=C5

DOS

IR

Vibrations