Geometry & MOs

Info

ID:

119890

PubChem CID:

50706271

Reduced:

ClO4N5C32H36 (1)

Stoich.:

AB4C5D32E36 (1)

Weight, g/mol:

631.256147

ΔHf, kcal/mol:

-121.68

Dipole, Da:

7.18

IP(EA), eV:

 -8.76(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-N-[4-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(=O)N(C)C

DOS

IR

Vibrations