Geometry & MOs

Info

ID:

95408

PubChem CID:

50009068

Reduced:

BrO5N6C30H39 (1)

Stoich.:

AB5C6D30E39 (1)

Weight, g/mol:

674.298346

ΔHf, kcal/mol:

-196.78

Dipole, Da:

12.15

IP(EA), eV:

 -8.88(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-[(2-methylbenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)Br)C(=O)NC

DOS

IR

Vibrations