Geometry & MOs

Info

ID:	331652
PubChem CID:	127249735
Reduced:	SO3N5C22H25 (1)
Stoich.:	AB3C5D22E25 (1)
Weight, g/mol:	425.152161
ΔH_f, kcal/mol:	-26.49
Dipole, Da:	3.48
IP(EA), eV:	-8.88(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methoxyphenyl)-1-[2-[6-(1,3,4-thiadiazol-2-ylamino)pyridin-2-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC2=CC=CC(=N2)C3CN(CCO3)C(=O)CC4=CC(=CC=C4)OC

DOS

IR

Vibrations