Geometry & MOs

Info

ID:

112785

PubChem CID:

50419639

Reduced:

N5O6C33H47 (1)

Stoich.:

A5B6C33D47 (1)

Weight, g/mol:

726.410483

ΔHf, kcal/mol:

-250.44

Dipole, Da:

2.86

IP(EA), eV:

 -8.57(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[4-methoxy-3-[(4-methylbenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)OC)OC)C

DOS

IR

Vibrations