Geometry & MOs

Info

ID:	331650
PubChem CID:	127249733
Reduced:	O3N4C24H26 (1)
Stoich.:	A3B4C24D26 (1)
Weight, g/mol:	425.152161
ΔH_f, kcal/mol:	-47.17
Dipole, Da:	1.82
IP(EA), eV:	-8.6(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxyphenyl)-1-[2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC2=CC=CC(=N2)C3CN(CCO3)C(=O)CC4=CC(=CC=C4)OC

DOS

IR

Vibrations