Geometry & MOs

Info

ID:	397232
PubChem CID:	135029929
Reduced:	NSiO8C36H71 (1)
Stoich.:	ABC8D36E71 (1)
Weight, g/mol:	349.204179
ΔH_f, kcal/mol:	-531.27
Dipole, Da:	4.49
IP(EA), eV:	-9.1(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,9aS)-9,9-dibenzyl-2-methyl-2,3,6,7,8,9a-hexahydropyrido[2,1-b][1,3]oxazin-4-one

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)O[C@@H]([C@@H](C(=O)OC[C@@H](C)[C@H]([C@H](C)CCCCCCCCCCCC(C)C)O)NC(=O)OC(C)(C)C)C(=O)OC

DOS

IR

Vibrations