Geometry & MOs

Info

ID:

105377

PubChem CID:

50107036

Reduced:

O4N5C32H37 (1)

Stoich.:

A4B5C32D37 (1)

Weight, g/mol:

573.275133

ΔHf, kcal/mol:

-113.03

Dipole, Da:

3.65

IP(EA), eV:

 -8.96(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[4-[(4-fluorophenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations