Geometry & MOs

Info

ID:	94002
PubChem CID:	49998042
Reduced:	ClN5O5C29H38 (1)
Stoich.:	AB5C5D29E38 (1)
Weight, g/mol:	585.19507
ΔH_f, kcal/mol:	-207.45
Dipole, Da:	9.14
IP(EA), eV:	-8.78(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-bromoanilino)-2-oxoethyl]-1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations