Geometry & MOs

Info

ID:	110268
PubChem CID:	50317951
Reduced:	N5O5C29H39 (1)
Stoich.:	A5B5C29D39 (1)
Weight, g/mol:	585.19507
ΔH_f, kcal/mol:	-199.98
Dipole, Da:	7.87
IP(EA), eV:	-8.16(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-bromoanilino)-1-oxopropan-2-yl]-1-[2-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=C(C=C3)OC)C(=O)NC(C)C

DOS

IR

Vibrations