Geometry & MOs

Info

ID:	139316
PubChem CID:	52508378
Reduced:	SN3O3C19H23 (1)
Stoich.:	AB3C3D19E23 (1)
Weight, g/mol:	373.146013
ΔH_f, kcal/mol:	-82.37
Dipole, Da:	6.36
IP(EA), eV:	-8.44(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)CC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3

DOS

IR

Vibrations