Geometry & MOs

Info

ID:	153208
PubChem CID:	56312368
Reduced:	FSO2N3C23H24 (1)
Stoich.:	ABC2D3E23F24 (1)
Weight, g/mol:	402.172562
ΔH_f, kcal/mol:	-61.26
Dipole, Da:	4.81
IP(EA), eV:	-8.3(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=CS2)C(C)C3=CC=C(C=C3)F

DOS

IR

Vibrations