Geometry & MOs

Info

ID:	380549
PubChem CID:	134971030
Reduced:	SN2O5C18H26 (1)
Stoich.:	AB2C5D18E26 (1)
Weight, g/mol:	444.171893
ΔH_f, kcal/mol:	-168.67
Dipole, Da:	7.55
IP(EA), eV:	-9.39(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S,6R)-6-[[(4-methylphenyl)sulfonylamino]methyl]-3-phenyl-3,6-dihydrooxazine-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C=C[C@@H](N(O1)C(=O)OC(C)(C)C)CNS(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations