Geometry & MOs

Info

ID:	107746
PubChem CID:	50217274
Reduced:	ClO5N6C32H41 (1)
Stoich.:	AB5C6D32E41 (1)
Weight, g/mol:	450.263091
ΔH_f, kcal/mol:	-208.12
Dipole, Da:	4.2
IP(EA), eV:	-8.82(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethylphenyl)-1-[1-[2-methyl-4-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)Cl)NC(=O)C(C)C

DOS

IR

Vibrations