Geometry & MOs

Info

ID:

95018

PubChem CID:

50005775

Reduced:

BrClO4N5C28H35 (1)

Stoich.:

ABC4D5E28F35 (1)

Weight, g/mol:

630.296597

ΔHf, kcal/mol:

-161.13

Dipole, Da:

10.82

IP(EA), eV:

 -9.18(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-fluoro-5-[(3-methylbenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)Br)Cl

DOS

IR

Vibrations