Geometry & MOs

Info

ID:

118094

PubChem CID:

50628703

Reduced:

ClN6O6C28H35 (1)

Stoich.:

AB6C6D28E35 (1)

Weight, g/mol:

690.273274

ΔHf, kcal/mol:

-219.35

Dipole, Da:

9.66

IP(EA), eV:

 -9.02(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]-N-[3-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N(C)C)Cl

DOS

IR

Vibrations