Geometry & MOs

Info

ID:	133056
PubChem CID:	51468611
Reduced:	ClNO5C25H26 (1)
Stoich.:	ABC5D25E26 (1)
Weight, g/mol:	465.160994
ΔH_f, kcal/mol:	-166.31
Dipole, Da:	8.07
IP(EA), eV:	-8.78(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate

Drug info:

PubChemData

Smile

CC1=CC=C(O1)[C@H]2C3=C(C[C@@H](CC3=O)C4=CC=CC=C4Cl)NC(=C2C(=O)OCCOC)C

DOS

IR

Vibrations