Geometry & MOs

Info

ID:	104643
PubChem CID:	50104812
Reduced:	ClO5N6C26H31 (1)
Stoich.:	AB5C6D26E31 (1)
Weight, g/mol:	548.274718
ΔH_f, kcal/mol:	-190.73
Dipole, Da:	6.54
IP(EA), eV:	-9.09(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[2-oxo-2-[2-(pyrrolidine-1-carbonyl)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations