Geometry & MOs

Info

ID:	91087
PubChem CID:	49973198
Reduced:	SO4N6C26H36 (1)
Stoich.:	AB4C6D26E36 (1)
Weight, g/mol:	514.236225
ΔH_f, kcal/mol:	-125.95
Dipole, Da:	9.14
IP(EA), eV:	-8.89(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=NN=C(S4)C(C)C

DOS

IR

Vibrations