Geometry & MOs

Info

ID:	109882
PubChem CID:	50300643
Reduced:	N5O5C29H39 (1)
Stoich.:	A5B5C29D39 (1)
Weight, g/mol:	585.19507
ΔH_f, kcal/mol:	-187.76
Dipole, Da:	9.27
IP(EA), eV:	-8.67(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)OC)C(=O)N(C)C

DOS

IR

Vibrations