Geometry & MOs

Info

ID:

90375

PubChem CID:

49969076

Reduced:

N5O5C35H47 (1)

Stoich.:

A5B5C35D47 (1)

Weight, g/mol:

716.426134

ΔHf, kcal/mol:

-198.72

Dipole, Da:

3.4

IP(EA), eV:

 -8.86(-0.13)

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-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCC(CC5)C)C

DOS

IR

Vibrations