Geometry & MOs

Info

ID:	128100
PubChem CID:	51031170
Reduced:	FSCl2N3O4H22C25 (1)
Stoich.:	ABC2D3E4F22G25 (1)
Weight, g/mol:	236.120115
ΔH_f, kcal/mol:	-107.69
Dipole, Da:	3.52
IP(EA), eV:	-9.91(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-9-methyl-1-phenyldec-4-en-2,6-diyn-1-one

Drug info:

PubChemData

Smile

C1CC1(C#N)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(CC3)C4=C(C=C(C=C4)F)Cl)S(=O)(=O)C5=CC=CC=C5Cl

DOS

IR

Vibrations