Geometry & MOs

Info

ID:	244947
PubChem CID:	99431647
Reduced:	O2N5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	428.188212
ΔH_f, kcal/mol:	-67.43
Dipole, Da:	8.57
IP(EA), eV:	-8.76(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[2-[(3S)-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)CCCN3C=CN=C3C

DOS

IR

Vibrations