Geometry & MOs

Info

ID:	111346
PubChem CID:	50362884
Reduced:	ClO3N4C28H35 (1)
Stoich.:	AB3C4D28E35 (1)
Weight, g/mol:	597.19507
ΔH_f, kcal/mol:	-123.69
Dipole, Da:	6.41
IP(EA), eV:	-8.78(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-carbamoylphenyl)-1-[1-[2-methyl-3-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N4CCCC4

DOS

IR

Vibrations