Geometry & MOs

Info

ID:

105664

PubChem CID:

50135634

Reduced:

O5N6C33H42 (1)

Stoich.:

A5B6C33D42 (1)

Weight, g/mol:

660.363533

ΔHf, kcal/mol:

-184.95

Dipole, Da:

7.63

IP(EA), eV:

 -8.84(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-1-[1-[2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC=C5C(=O)NC

DOS

IR

Vibrations