Geometry & MOs

Info

ID:	380550
PubChem CID:	134971031
Reduced:	SN2O5C23H28 (1)
Stoich.:	AB2C5D23E28 (1)
Weight, g/mol:	444.171893
ΔH_f, kcal/mol:	-134.79
Dipole, Da:	5.99
IP(EA), eV:	-9.35(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC[C@H]2C=C[C@H](N(O2)C(=O)OC(C)(C)C)C3=CC=CC=C3

DOS

IR

Vibrations