Geometry & MOs

Info

ID:	151887
PubChem CID:	56310711
Reduced:	SN3O3C18H23 (1)
Stoich.:	AB3C3D18E23 (1)
Weight, g/mol:	454.203862
ΔH_f, kcal/mol:	-75.67
Dipole, Da:	5.84
IP(EA), eV:	-8.35(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN(CCCOC)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=CS2

DOS

IR

Vibrations