Geometry & MOs

Info

ID:	134991
PubChem CID:	51794664
Reduced:	ClN2O5C23H27 (1)
Stoich.:	AB2C5D23E27 (1)
Weight, g/mol:	416.223056
ΔH_f, kcal/mol:	-208.06
Dipole, Da:	4.33
IP(EA), eV:	-9.1(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2R)-2-[3-chloro-N-(3-methylbut-2-enoyl)anilino]-N-cyclohexylhept-3-enamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H](C1=C(C=C(C=C1O)O)O)N(C2=CC(=CC=C2)Cl)C(=O)C=C(C)C

DOS

IR

Vibrations