Geometry & MOs

Info

ID:	157789
PubChem CID:	56437264
Reduced:	O3N4C23H30 (1)
Stoich.:	A3B4C23D30 (1)
Weight, g/mol:	428.13184
ΔH_f, kcal/mol:	-116.54
Dipole, Da:	3.54
IP(EA), eV:	-8.83(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide

Drug info:

PubChemData

Smile

CC(C)CCC(=O)NCC(=O)NC(C)C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2

DOS

IR

Vibrations