Geometry & MOs

Info

ID:	152313
PubChem CID:	56311219
Reduced:	ClSO3N4C25H25 (1)
Stoich.:	ABC3D4E25F25 (1)
Weight, g/mol:	488.188212
ΔH_f, kcal/mol:	-54.49
Dipole, Da:	4.58
IP(EA), eV:	-8.54(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)Cl)CC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CS4

DOS

IR

Vibrations