Geometry & MOs

Info

ID:	243245
PubChem CID:	99217780
Reduced:	O2N6C21H26 (1)
Stoich.:	A2B6C21D26 (1)
Weight, g/mol:	426.139113
ΔH_f, kcal/mol:	9.37
Dipole, Da:	2.01
IP(EA), eV:	-9.12(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-[(2,4-difluorophenyl)-(pyridin-2-ylmethyl)carbamoyl]phenoxy]acetate

Drug info:

PubChemData

Smile

CCCN(C1=CC=CC(=C1)NC(=O)[C@H](C)N2C=CC=N2)C(=O)[C@@H](C)N3C=CC=N3

DOS

IR

Vibrations