Geometry & MOs

Info

ID:	227148
PubChem CID:	87560348
Reduced:	O3C37H56 (1)
Stoich.:	A3B37C56 (1)
Weight, g/mol:	241.095892
ΔH_f, kcal/mol:	-139.61
Dipole, Da:	1.35
IP(EA), eV:	-8.38(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl carbamodithioate;butane

Drug info:

PubChemData

Smile

CCC(C)(C)C1=C(C(=C(C=C1)OC(=O)C=C)C(C)C2=C(C(=CC(=C2)C(C)(C)CC)C(C)(C)CC)O)C(C)(C)CC

DOS

IR

Vibrations