Geometry & MOs

Info

ID:

118818

PubChem CID:

50660285

Reduced:

ClFO4N5C28H35 (1)

Stoich.:

ABC4D5E28F35 (1)

Weight, g/mol:

626.298346

ΔHf, kcal/mol:

-218.41

Dipole, Da:

9.98

IP(EA), eV:

 -9.02(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[2-methyl-4-(propylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC(C)C)Cl

DOS

IR

Vibrations