Geometry & MOs

Info

ID:	105409
PubChem CID:	50107136
Reduced:	N5O5C28H37 (1)
Stoich.:	A5B5C28D37 (1)
Weight, g/mol:	571.17942
ΔH_f, kcal/mol:	-197.01
Dipole, Da:	6.56
IP(EA), eV:	-8.32(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]-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)NC(C(C)C)C(=O)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations