Geometry & MOs

Info

ID:

107099

PubChem CID:

50189950

Reduced:

N5O5C35H41 (1)

Stoich.:

A5B5C35D41 (1)

Weight, g/mol:

615.285698

ΔHf, kcal/mol:

-162.36

Dipole, Da:

9.75

IP(EA), eV:

 -8.94(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(3-fluorophenyl)carbamoyl]phenyl]-1-[1-[2-methyl-4-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC=CC=C2NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)N5CCOCC5)C

DOS

IR

Vibrations