Geometry & MOs

Info

ID:	135664
PubChem CID:	51912200
Reduced:	OSN6C27H34 (1)
Stoich.:	ABC6D27E34 (1)
Weight, g/mol:	484.146821
ΔH_f, kcal/mol:	42.95
Dipole, Da:	7.62
IP(EA), eV:	-7.79(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,4-dimethylanilino)-2-oxoethyl] (2R)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=C(C=C1)N2CCCCC2)SC3=NN=C(N3C4=CC=CC=C4)CN5CCCC5

DOS

IR

Vibrations