Geometry & MOs

Info

ID:	440889
PubChem CID:	135232042
Reduced:	SN2O3H34C43 (1)
Stoich.:	AB2C3D34E43 (1)
Weight, g/mol:	312.266445
ΔH_f, kcal/mol:	35.81
Dipole, Da:	4.18
IP(EA), eV:	-8.21(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1,13-dihydroxynonadec-10-en-2-one

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C4=CC5=C(C=C4)S(=O)(=O)C6=C(C5=O)C=CC(=C6)N7C8=CC=CC=C8C(C9=CC=CC=C97)(C)C)C

DOS

IR

Vibrations