Geometry & MOs

Info

ID:	112561
PubChem CID:	50411751
Reduced:	SO4N7C28H41 (1)
Stoich.:	AB4C7D28E41 (1)
Weight, g/mol:	613.22637
ΔH_f, kcal/mol:	-134.58
Dipole, Da:	3.16
IP(EA), eV:	-8.89(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-bromoanilino)-3-oxopropyl]-1-[1-[3-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N(CC)CC

DOS

IR

Vibrations