Geometry & MOs

Info

ID:	312061
PubChem CID:	126602175
Reduced:	NO4C11H23 (1)
Stoich.:	AB4C11D23 (1)
Weight, g/mol:	697.278149
ΔH_f, kcal/mol:	-196.55
Dipole, Da:	3.52
IP(EA), eV:	-9.45(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-3,3-dimethyl-2-[[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]acetyl]amino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)COCCCOCCN

DOS

IR

Vibrations