Geometry & MOs

Info

ID:	388900
PubChem CID:	134990550
Reduced:	O2C13H15 (2)
Stoich.:	A2B13C15 (2)
Weight, g/mol:	330.140199
ΔH_f, kcal/mol:	-142.29
Dipole, Da:	2.24
IP(EA), eV:	-8.8(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(1R)-1-(dimethylamino)-2-phenylsulfanylethyl]carbamate

Drug info:

PubChemData

Smile

CCC(=O)OC1=C(C=C(C=C1)/C(=C\C)/C(=C/C)/C2=CC(=C(C=C2)OC(=O)CC)C)C

DOS

IR

Vibrations