Geometry & MOs

Info

ID:	397112
PubChem CID:	135029750
Reduced:	NO2C18H25 (1)
Stoich.:	AB2C18D25 (1)
Weight, g/mol:	313.150036
ΔH_f, kcal/mol:	-57.3
Dipole, Da:	1.61
IP(EA), eV:	-9.49(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,6S)-2-tert-butyl-6-(2-methylphenyl)-5-thiophen-3-yl-5,6-dihydro-4H-1,3-oxazine

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC[C@@H]([C@H](O1)C2=CC=CC=C2)/C=C/COC

DOS

IR

Vibrations