Geometry & MOs

Info

ID:	152894
PubChem CID:	56311981
Reduced:	BrFSN2O3C18H20 (1)
Stoich.:	ABCD2E3F18G20 (1)
Weight, g/mol:	399.107519
ΔH_f, kcal/mol:	-108.01
Dipole, Da:	5.8
IP(EA), eV:	-7.9(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-[methyl(1-thiophen-2-ylethyl)amino]acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCC(C2)CNS(=O)(=O)C3=C(C=CC(=C3)Br)F

DOS

IR

Vibrations