Geometry & MOs

Info

ID:	331731
PubChem CID:	127249814
Reduced:	SO3N5C22H25 (1)
Stoich.:	AB3C5D22E25 (1)
Weight, g/mol:	425.152161
ΔH_f, kcal/mol:	-27.22
Dipole, Da:	3.47
IP(EA), eV:	-9.02(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(ethoxymethyl)phenyl]-[2-[6-(1,3,4-thiadiazol-2-ylamino)pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCC(=O)N2CCOC(C2)C3=NC(=CC=C3)NC4=NN=C(S4)C

DOS

IR

Vibrations