Geometry & MOs

Info

ID:	152000
PubChem CID:	56310839
Reduced:	ClSO2N5C22H22 (1)
Stoich.:	ABC2D5E22F22 (1)
Weight, g/mol:	440.224597
ΔH_f, kcal/mol:	1.83
Dipole, Da:	6.06
IP(EA), eV:	-8.43(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3)C4=NC=C(C=C4)Cl

DOS

IR

Vibrations