Geometry & MOs

Info

ID:	139315
PubChem CID:	52508377
Reduced:	SO2N4C18H18 (1)
Stoich.:	AB2C4D18E18 (1)
Weight, g/mol:	373.146013
ΔH_f, kcal/mol:	50.69
Dipole, Da:	4.2
IP(EA), eV:	-8.24(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C1=NC(=NO1)C2CC2)NC3=CC=C(C=C3)NC(=O)C4=CC=CS4

DOS

IR

Vibrations