Geometry & MOs

Info

ID:	153211
PubChem CID:	56312371
Reduced:	SO2N3C25H27 (1)
Stoich.:	AB2C3D25E27 (1)
Weight, g/mol:	456.219512
ΔH_f, kcal/mol:	-4.41
Dipole, Da:	5.72
IP(EA), eV:	-8.33(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)CN(CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CS4

DOS

IR

Vibrations