Geometry & MOs

Info

ID:

104397

PubChem CID:

50104205

Reduced:

SO4N7C25H35 (1)

Stoich.:

AB4C7D25E35 (1)

Weight, g/mol:

539.290783

ΔHf, kcal/mol:

-138.28

Dipole, Da:

7.89

IP(EA), eV:

 -8.84(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=NN=C(S3)C

DOS

IR

Vibrations