Geometry & MOs

Info

ID:	404587
PubChem CID:	135067041
Reduced:	ClNSO4H12C17 (1)
Stoich.:	ABCD4E12F17 (1)
Weight, g/mol:	316.203845
ΔH_f, kcal/mol:	-110.96
Dipole, Da:	2.58
IP(EA), eV:	-9.0(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2Z,4E)-1-phenylmethoxyocta-2,4-dien-3-yl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C(=CC=C1)OC(=O)C)C2=NC3=C(S2)C=CC(=C3)Cl

DOS

IR

Vibrations