Geometry & MOs

Info

ID:	160463
PubChem CID:	57309811
Reduced:	N3O6C31H47 (1)
Stoich.:	A3B6C31D47 (1)
Weight, g/mol:	335.136887
ΔH_f, kcal/mol:	-290.54
Dipole, Da:	5.71
IP(EA), eV:	-9.22(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2,5-dihydroxypyrrol-1-yl)-3-(3-ethoxy-4-methoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)NC(CC1=CC=CC=C1)C(CNCC([C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O)O)O

DOS

IR

Vibrations