Geometry & MOs

Info

ID:	152311
PubChem CID:	56311217
Reduced:	FSO3N4C25H25 (1)
Stoich.:	ABC3D4E25F25 (1)
Weight, g/mol:	427.112126
ΔH_f, kcal/mol:	-97.3
Dipole, Da:	4.25
IP(EA), eV:	-8.41(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-[1-(3-chlorophenyl)ethyl-methylamino]acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CS4)F

DOS

IR

Vibrations