Geometry & MOs

Info

ID:	115467
PubChem CID:	50523709
Reduced:	ClFO4N5C24H27 (1)
Stoich.:	ABC4D5E24F27 (1)
Weight, g/mol:	529.209197
ΔH_f, kcal/mol:	-192.77
Dipole, Da:	3.86
IP(EA), eV:	-9.01(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-carbamoyl-4-chloroanilino)-2-oxoethyl]-N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1F)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N

DOS

IR

Vibrations