Geometry & MOs

Info

ID:	244948
PubChem CID:	99431648
Reduced:	SO3N4C22H28 (1)
Stoich.:	AB3C4D22E28 (1)
Weight, g/mol:	428.188212
ΔH_f, kcal/mol:	-91.54
Dipole, Da:	3.78
IP(EA), eV:	-8.51(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[2-[(3R)-3-[[(4-methylphenyl)carbamoylamino]methyl]piperidin-1-yl]-2-oxoethyl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)NC[C@@H]2CCCN(C2)C(=O)CN(C)C(=O)C3=CSC=C3

DOS

IR

Vibrations