Geometry & MOs

Info

ID:

120030

PubChem CID:

50711950

Reduced:

BrCl2O4N5C25H28 (1)

Stoich.:

AB2C4D5E25F28 (1)

Weight, g/mol:

694.324561

ΔHf, kcal/mol:

-149.04

Dipole, Da:

5.96

IP(EA), eV:

 -9.21(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-chloro-5-(diethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)Br)Cl

DOS

IR

Vibrations