Geometry & MOs

Info

ID:	393118
PubChem CID:	135019457
Reduced:	NO13C32H35 (1)
Stoich.:	AB13C32D35 (1)
Weight, g/mol:	337.167794
ΔH_f, kcal/mol:	-333.23
Dipole, Da:	7.96
IP(EA), eV:	-8.9(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R,6S)-3,6-diphenyl-3,6-dihydrooxazine-2-carboxylate

Drug info:

PubChemData

Smile

C1COCCOC2=CC=CC=C2OCCOCCOCCOC3=C(C=CC(=C3)COC4=CC(=NC(=C4)C(=O)[O-])C(=O)[O-])OCCO1

DOS

IR

Vibrations