Geometry & MOs

Info

ID:	166068
PubChem CID:	74632607
Reduced:	ClN3O3C22H30 (1)
Stoich.:	AB3C3D22E30 (1)
Weight, g/mol:	450.136176
ΔH_f, kcal/mol:	-131.94
Dipole, Da:	6.92
IP(EA), eV:	-8.99(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methoxy-4-[[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(CC(=O)N2)C(=O)N3CCN(CC3)CCOC4=CC=CC=C4Cl

DOS

IR

Vibrations