Geometry & MOs

Info

ID:	319026
PubChem CID:	126654201
Reduced:	NO3C13H23 (1)
Stoich.:	AB3C13D23 (1)
Weight, g/mol:	560.29987
ΔH_f, kcal/mol:	-142.98
Dipole, Da:	2.52
IP(EA), eV:	-9.21(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S,4S)-3-[[2-amino-5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC/C=C\C(=C)OCCNC(=O)OC(C)(C)C

DOS

IR

Vibrations