Geometry & MOs

Info

ID:	393497
PubChem CID:	135020765
Reduced:	H23C55 (2)
Stoich.:	A23B55 (2)
Weight, g/mol:	350.209963
ΔH_f, kcal/mol:	536.4
Dipole, Da:	1.15
IP(EA), eV:	-7.63(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(phenylsulfanylmethyl)-1-triethylsilylhept-1-en-3-ol

Drug info:

Smile

CC1=CC2=C3C4=C1C5=CC=CC=C5C6=C4C7=C(C=C6)C8=C9C1=C(C=C8)C4=CC=CC=C4C4=C(C=C5C6=CC=CC8=C%10C=CC=C2C%10=C2C3=C7C9=C(C5=C14)C2=C86)C1=C2C3=CC=CC=C3C3=C4C2=C2C(=C1)C1=CC=CC5=C6C=CC=C7C6=C6C(=C51)C2=C1C4=C(C=C3)C2=C3C1=C6C1=C7C=C(C4=C1C3=C(C=C2)C1=CC=CC=C14)C

DOS

IR

Vibrations