Geometry & MOs

Info

ID:

118597

PubChem CID:

50648544

Reduced:

BrClO5N6C30H36 (1)

Stoich.:

ABC5D6E30F36 (1)

Weight, g/mol:

702.19321

ΔHf, kcal/mol:

-199.61

Dipole, Da:

6.52

IP(EA), eV:

 -9.13(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-bromo-3-(dimethylcarbamoyl)phenyl]-1-[1-[2-[2-chloro-5-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)Br)C(=O)N

DOS

IR

Vibrations