Geometry & MOs

Info

ID:	95462
PubChem CID:	50009532
Reduced:	ClO5N6C36H41 (1)
Stoich.:	AB5C6D36E41 (1)
Weight, g/mol:	452.242356
ΔH_f, kcal/mol:	-176.52
Dipole, Da:	3.71
IP(EA), eV:	-8.39(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=C(C=C5)Cl)C

DOS

IR

Vibrations