Geometry & MOs

Info

ID:

95474

PubChem CID:

50009615

Reduced:

ClO5N6C30H37 (1)

Stoich.:

AB5C6D30E37 (1)

Weight, g/mol:

668.332233

ΔHf, kcal/mol:

-195.2

Dipole, Da:

10.11

IP(EA), eV:

 -9.06(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methoxy-4-[(2-methylbenzoyl)amino]phenyl]-1-[1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)C(=O)NC)Cl

DOS

IR

Vibrations