Geometry & MOs

Info

ID:

91418

PubChem CID:

49975838

Reduced:

NOC6H7 (6)

Stoich.:

ABC6D7 (6)

Weight, g/mol:

672.307161

ΔHf, kcal/mol:

-193.96

Dipole, Da:

5.91

IP(EA), eV:

 -8.38(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(4-fluorobenzoyl)amino]anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations