Geometry & MOs

Info

ID:	91259
PubChem CID:	49974659
Reduced:	ClN5O5C30H38 (1)
Stoich.:	AB5C5D30E38 (1)
Weight, g/mol:	541.209197
ΔH_f, kcal/mol:	-199.09
Dipole, Da:	6.35
IP(EA), eV:	-8.88(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-carbamoyl-5-chlorophenyl)-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)C

DOS

IR

Vibrations