Geometry & MOs

Info

ID:

95530

PubChem CID:

50010037

Reduced:

BrO5N6C30H37 (1)

Stoich.:

AB5C6D30E37 (1)

Weight, g/mol:

686.298346

ΔHf, kcal/mol:

-182.01

Dipole, Da:

13.69

IP(EA), eV:

 -9.1(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-[(4-methylbenzoyl)amino]phenyl]-1-[1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)Br)C(=O)N

DOS

IR

Vibrations