Geometry & MOs

Info

ID:	151998
PubChem CID:	56310835
Reduced:	SN3O3C25H27 (1)
Stoich.:	AB3C3D25E27 (1)
Weight, g/mol:	411.141676
ΔH_f, kcal/mol:	-56.63
Dipole, Da:	5.24
IP(EA), eV:	-8.26(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-[2-(4-fluorophenyl)ethyl-methylamino]acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC2CCCN2CC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CS4

DOS

IR

Vibrations