Geometry & MOs

Info

ID:	331630
PubChem CID:	127249713
Reduced:	O3N6C22H24 (1)
Stoich.:	A3B6C22D24 (1)
Weight, g/mol:	440.16306
ΔH_f, kcal/mol:	-17.89
Dipole, Da:	2.65
IP(EA), eV:	-8.22(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)CN2CCOC(C2)C3=NC(=CC=C3)NC4=NC=CC=N4

DOS

IR

Vibrations