Geometry & MOs

Info

ID:	107553
PubChem CID:	50208704
Reduced:	N5O5C26H33 (1)
Stoich.:	A5B5C26D33 (1)
Weight, g/mol:	521.300205
ΔH_f, kcal/mol:	-183.71
Dipole, Da:	10.9
IP(EA), eV:	-8.38(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methyl-3-(2-methylbutanoylamino)phenyl]-1-[2-[2-methyl-4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)OC)NC(=O)C

DOS

IR

Vibrations