Geometry & MOs

Info

ID:	332096
PubChem CID:	127250382
Reduced:	N3O3C27H29 (1)
Stoich.:	A3B3C27D29 (1)
Weight, g/mol:	411.136511
ΔH_f, kcal/mol:	-53.78
Dipole, Da:	5.94
IP(EA), eV:	-8.48(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-amino-1,3,4-thiadiazol-2-yl)-1-[2-[5-(3-methoxyphenyl)pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

COC1=C(C=C2CCCC2=C1)CN3CCOC(C3)C4=NC=C(C=C4)C5=CC(=CC=C5)C(=O)N

DOS

IR

Vibrations