Geometry & MOs

Info

ID:

90396

PubChem CID:

49969369

Reduced:

N6O6C41H58 (1)

Stoich.:

A6B6C41D58 (1)

Weight, g/mol:

702.410483

ΔHf, kcal/mol:

-270.85

Dipole, Da:

6.21

IP(EA), eV:

 -8.67(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-methoxy-5-(pyrrolidine-1-carbonyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCCC(C5)C)OC

DOS

IR

Vibrations