Geometry & MOs

Info

ID:	302396
PubChem CID:	124361572
Reduced:	NSO6C25H25 (1)
Stoich.:	ABC6D25E25 (1)
Weight, g/mol:	444.273656
ΔH_f, kcal/mol:	-199.95
Dipole, Da:	8.32
IP(EA), eV:	-9.27(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-(4-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)OCC(=O)N[C@H](CSCC4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations