Geometry & MOs

Info

ID:	178654
PubChem CID:	76363569
Reduced:	S2O3N5C17H23 (1)
Stoich.:	A2B3C5D17E23 (1)
Weight, g/mol:	400.145678
ΔH_f, kcal/mol:	-72.61
Dipole, Da:	9.23
IP(EA), eV:	-8.39(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[1-oxo-1-(1-oxo-1,4-thiazinan-4-yl)-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCN1C(=NNC1=S)CNC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations