Geometry & MOs

Info

ID:	150133
PubChem CID:	53789820
Reduced:	PS2N3O3C20H36 (1)
Stoich.:	AB2C3D3E20F36 (1)
Weight, g/mol:	487.235873
ΔH_f, kcal/mol:	-211.6
Dipole, Da:	8.88
IP(EA), eV:	-8.77(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[[4-(4-methoxyphenyl)phenyl]carbamoyl]phenoxy]hexyl 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CCCCC(C)OP(=S)(NCC)N(CCCS(=O)(=O)C)C=NC1=CC=C(C=C1)C

DOS

IR

Vibrations