Geometry & MOs

Info

ID:	380548
PubChem CID:	134971029
Reduced:	NOC18H27 (1)
Stoich.:	ABC18D27 (1)
Weight, g/mol:	382.156243
ΔH_f, kcal/mol:	-47.66
Dipole, Da:	3.55
IP(EA), eV:	-9.47(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC=CC[C@@]1(CCCC([C@H]1CC2=CN=CC=C2)(C)C)O

DOS

IR

Vibrations