Geometry & MOs

Info

ID:	105930
PubChem CID:	50143250
Reduced:	N4O4C27H36 (1)
Stoich.:	A4B4C27D36 (1)
Weight, g/mol:	472.22566
ΔH_f, kcal/mol:	-153.89
Dipole, Da:	4.16
IP(EA), eV:	-8.54(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-[2-[2-methyl-4-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C)OC)C

DOS

IR

Vibrations