Geometry & MOs

Info

ID:	156167
PubChem CID:	56369393
Reduced:	N2O7C24H32 (1)
Stoich.:	A2B7C24D32 (1)
Weight, g/mol:	439.247107
ΔH_f, kcal/mol:	-253.83
Dipole, Da:	9.51
IP(EA), eV:	-9.05(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-N-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-3-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NCC(COC1=C(C=CC=C1OC)OC)O)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations