Geometry & MOs

Info

ID:	110507
PubChem CID:	50328113
Reduced:	FO4N5C32H42 (1)
Stoich.:	AB4C5D32E42 (1)
Weight, g/mol:	536.274718
ΔH_f, kcal/mol:	-215.93
Dipole, Da:	5.74
IP(EA), eV:	-8.72(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-[4-(dimethylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N4CCCCC4

DOS

IR

Vibrations