Geometry & MOs

Info

ID:

103607

PubChem CID:

50071928

Reduced:

FO4N5C35H40 (1)

Stoich.:

AB4C5D35E40 (1)

Weight, g/mol:

718.347883

ΔHf, kcal/mol:

-182.67

Dipole, Da:

11.84

IP(EA), eV:

 -8.4(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(2-methoxybenzoyl)amino]-4-methylanilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(=O)NC5CCCC5)F

DOS

IR

Vibrations