Geometry & MOs

Info

ID:	153108
PubChem CID:	56312242
Reduced:	OSN4C19H22 (1)
Stoich.:	ABC4D19E22 (1)
Weight, g/mol:	427.138819
ΔH_f, kcal/mol:	28.41
Dipole, Da:	5.85
IP(EA), eV:	-8.84(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-[(3-methylthiophen-2-yl)methyl-propan-2-ylamino]acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1CN3CCC(CC3)NC(=O)C4=CSC=C4

DOS

IR

Vibrations