Geometry & MOs

Info

ID:	135108
PubChem CID:	51815116
Reduced:	OSCl2N3C25H31 (1)
Stoich.:	ABC2D3E25F31 (1)
Weight, g/mol:	373.236542
ΔH_f, kcal/mol:	-15.4
Dipole, Da:	6.68
IP(EA), eV:	-8.3(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(Z,2R)-1-(butylamino)-1-oxopent-3-en-2-yl]-propylamino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CN([C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl)C(=S)NCCCN4CCOCC4

DOS

IR

Vibrations