Geometry & MOs

Info

ID:	105198
PubChem CID:	50106609
Reduced:	ClO5N6C26H31 (1)
Stoich.:	AB5C6D26E31 (1)
Weight, g/mol:	564.306018
ΔH_f, kcal/mol:	-193.72
Dipole, Da:	3.93
IP(EA), eV:	-9.28(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N

DOS

IR

Vibrations