Geometry & MOs

Info

ID:	75065
PubChem CID:	48422938
Reduced:	SN2O3C17H26 (1)
Stoich.:	AB2C3D17E26 (1)
Weight, g/mol:	354.124943
ΔH_f, kcal/mol:	-84.23
Dipole, Da:	4.28
IP(EA), eV:	-9.1(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[(1,1-dioxothiolan-3-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)NCC(C1=CC=CS1)N2CCOCC2)OCC3CC3

DOS

IR

Vibrations