Geometry & MOs

Info

ID:	147827
PubChem CID:	53787485
Reduced:	N5O12C22H37 (1)
Stoich.:	A5B12C22D37 (1)
Weight, g/mol:	478.006175
ΔH_f, kcal/mol:	-567.17
Dipole, Da:	6.11
IP(EA), eV:	-10.02(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-6-(4-chlorophenyl)-2-(4,4-dichloro-1,1,1-trifluorobut-3-en-2-yl)-2-propan-2-ylhex-4-enoic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CCC(=O)N(C)C(=O)O)C(=O)N)NC(=O)O[C@@H]([C@@H]([C@@H](CO)O)O)[C@H](C(=O)C)NC(=O)C

DOS

IR

Vibrations