Geometry & MOs

Info

ID:

119975

PubChem CID:

50709724

Reduced:

ClFO5N6C33H44 (1)

Stoich.:

ABC5D6E33F44 (1)

Weight, g/mol:

708.283839

ΔHf, kcal/mol:

-269.29

Dipole, Da:

6.99

IP(EA), eV:

 -8.91(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(diethylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[5-[(2-fluorophenyl)carbamoyl]-2-methoxyanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC(=C(C=C1)F)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N(CC)CC)Cl

DOS

IR

Vibrations