Geometry & MOs

Info

ID:	107399
PubChem CID:	50201366
Reduced:	SO4N7C27H39 (1)
Stoich.:	AB4C7D27E39 (1)
Weight, g/mol:	564.306018
ΔH_f, kcal/mol:	-140.69
Dipole, Da:	6.88
IP(EA), eV:	-9.15(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-1-[2-[4-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=NN=C(S3)C(C)C)C

DOS

IR

Vibrations