Geometry & MOs

Info

ID:	95623
PubChem CID:	50010754
Reduced:	BrO4N5C26H32 (1)
Stoich.:	AB4C5D26E32 (1)
Weight, g/mol:	537.295119
ΔH_f, kcal/mol:	-142.16
Dipole, Da:	10.96
IP(EA), eV:	-8.87(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methoxy-5-(propylcarbamoyl)phenyl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Br)C(=O)NC

DOS

IR

Vibrations