Geometry & MOs

Info

ID:	135895
PubChem CID:	51954354
Reduced:	NO4C20H25 (1)
Stoich.:	AB4C20D25 (1)
Weight, g/mol:	478.232853
ΔH_f, kcal/mol:	-126.5
Dipole, Da:	3.75
IP(EA), eV:	-8.4(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[4-methyl-3-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]phenyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N[C@H](C)C2=CC(=C(C=C2)OCCOC)OC

DOS

IR

Vibrations