Geometry & MOs

Info

ID:	114692
PubChem CID:	50492903
Reduced:	N4O5C31H36 (1)
Stoich.:	A4B5C31D36 (1)
Weight, g/mol:	520.22566
ΔH_f, kcal/mol:	-152.76
Dipole, Da:	3.14
IP(EA), eV:	-8.48(-0.5)
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-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)OC)OC)C

DOS

IR

Vibrations