Geometry & MOs

Info

ID:	243685
PubChem CID:	99233985
Reduced:	S2N3O5C18H29 (1)
Stoich.:	A2B3C5D18E29 (1)
Weight, g/mol:	389.195071
ΔH_f, kcal/mol:	-212.72
Dipole, Da:	9.26
IP(EA), eV:	-9.43(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3R)-1-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC[C@H]1CCCN(C1)C(=O)CN(C)S(=O)(=O)C2=CC=CS2

DOS

IR

Vibrations