Geometry & MOs

Info

ID:	405249
PubChem CID:	135073188
Reduced:	OC4H6 (4)
Stoich.:	AB4C6 (4)
Weight, g/mol:	319.087829
ΔH_f, kcal/mol:	-154.24
Dipole, Da:	3.21
IP(EA), eV:	-9.84(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[1-(benzenesulfonyl)ethyl]carbamate

Drug info:

PubChemData

Smile

CCC#CCC/C(=C(\C(C)C)/OC(=O)C)/C(=O)OCC

DOS

IR

Vibrations