Geometry & MOs

Info

ID:	46766
PubChem CID:	10527117
Reduced:	SN3O6H19C21 (1)
Stoich.:	AB3C6D19E21 (1)
Weight, g/mol:	441.189986
ΔH_f, kcal/mol:	-133.9
Dipole, Da:	3.44
IP(EA), eV:	-9.23(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-acetyl-N-[[3-(dimethylamino)-3-oxopropyl]-phenylmethoxycarbonylamino]carbamate

Drug info:

PubChemData

Smile

CC(=O)OC1[C@H]([C@@H]([C@H](S1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)N=[N+]=[N-]

DOS

IR

Vibrations