Geometry & MOs

Info

ID:	448621
PubChem CID:	135292304
Reduced:	ON4C16H24 (1)
Stoich.:	AB4C16D24 (1)
Weight, g/mol:	623.224263
ΔH_f, kcal/mol:	33.73
Dipole, Da:	3.24
IP(EA), eV:	-8.57(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-benzyl N-[1-[[1-(2-acetamidonaphthalen-1-yl)naphthalen-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamothioate

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCN1C(=O)C2CC2)/C(=C(/C=C)\C#N)/N(C)C

DOS

IR

Vibrations