Geometry & MOs

Info

ID:

112341

PubChem CID:

50403491

Reduced:

FO5N6C37H45 (1)

Stoich.:

AB5C6D37E45 (1)

Weight, g/mol:

688.338461

ΔHf, kcal/mol:

-226.0

Dipole, Da:

2.12

IP(EA), eV:

 -8.89(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-(dimethylcarbamoyl)-2-methoxyanilino]-1-oxopropan-2-yl]-1-[1-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N(C)C)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations