Geometry & MOs

Info

ID:	106628
PubChem CID:	50171068
Reduced:	N5O5C31H41 (1)
Stoich.:	A5B5C31D41 (1)
Weight, g/mol:	585.15868
ΔH_f, kcal/mol:	-196.85
Dipole, Da:	10.46
IP(EA), eV:	-9.08(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-carbamoylphenyl)-1-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N4CCOCC4)C

DOS

IR

Vibrations