Geometry & MOs

Info

ID:	185448
PubChem CID:	77301312
Reduced:	N3O6C20H21 (1)
Stoich.:	A3B6C20D21 (1)
Weight, g/mol:	460.304956
ΔH_f, kcal/mol:	-156.65
Dipole, Da:	2.81
IP(EA), eV:	-8.82(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-amino-3-(2-propan-2-yloxyethylimino)prop-1-enyl]-3-cyclopentyl-2-(3-cyclopentyloxy-5-oxo-2H-pyrrol-1-yl)propanamide

Drug info:

PubChemData

Smile

CC(CO)OC1=CC(=CC(=C1)OC2=CC(=C(C=C2)O)O)C(=O)NC3=NN(C=C3)C

DOS

IR

Vibrations