Geometry & MOs

Info

ID:

95184

PubChem CID:

50006861

Reduced:

FO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

702.354111

ΔHf, kcal/mol:

-229.03

Dipole, Da:

12.58

IP(EA), eV:

 -8.9(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[3-[(3-fluorobenzoyl)amino]-4-methoxyanilino]-3-oxopropyl]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=C(C=C(C=C3)C(=O)NC4=CC(=CC=C4)F)C

DOS

IR

Vibrations