Geometry & MOs

Info

ID:	110514
PubChem CID:	50328350
Reduced:	ClO5N6C26H31 (1)
Stoich.:	AB5C6D26E31 (1)
Weight, g/mol:	556.220096
ΔH_f, kcal/mol:	-200.26
Dipole, Da:	3.26
IP(EA), eV:	-8.9(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)NC(=O)C)Cl)C(=O)N

DOS

IR

Vibrations