Geometry & MOs

Info

ID:	105271
PubChem CID:	50106792
Reduced:	FO5N6C29H37 (1)
Stoich.:	AB5C6D29E37 (1)
Weight, g/mol:	543.14812
ΔH_f, kcal/mol:	-249.42
Dipole, Da:	5.75
IP(EA), eV:	-8.7(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-bromoanilino)-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)NC(C)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C(C)C

DOS

IR

Vibrations