Geometry & MOs

Info

ID:	106637
PubChem CID:	50171094
Reduced:	SO3N6C26H36 (1)
Stoich.:	AB3C6D26E36 (1)
Weight, g/mol:	549.295119
ΔH_f, kcal/mol:	-94.65
Dipole, Da:	8.4
IP(EA), eV:	-8.82(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(dimethylcarbamoyl)-2-methylphenyl]-1-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=NN=C(S4)C

DOS

IR

Vibrations