Geometry & MOs

Info

ID:	333134
PubChem CID:	127251682
Reduced:	O3N6C23H28 (1)
Stoich.:	A3B6C23D28 (1)
Weight, g/mol:	414.14741
ΔH_f, kcal/mol:	-57.66
Dipole, Da:	5.56
IP(EA), eV:	-8.95(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CCC1=NC(=C(O1)C(=O)N2CCOC(C2)C3=NC(=CC(=C3)NC4=NC(=CC(=N4)C)C)C)C

DOS

IR

Vibrations