Geometry & MOs

Info

ID:	107388
PubChem CID:	50201326
Reduced:	ClO4N5C28H36 (1)
Stoich.:	AB4C5D28E36 (1)
Weight, g/mol:	543.265711
ΔH_f, kcal/mol:	-168.88
Dipole, Da:	8.78
IP(EA), eV:	-8.24(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)NC(=O)C)Cl)C

DOS

IR

Vibrations