Geometry & MOs

Info

ID:	93061
PubChem CID:	49991262
Reduced:	O3N4C30H40 (1)
Stoich.:	A3B4C30D40 (1)
Weight, g/mol:	526.27261
ΔH_f, kcal/mol:	-132.87
Dipole, Da:	4.66
IP(EA), eV:	-8.9(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4)C

DOS

IR

Vibrations