Geometry & MOs

Info

ID:	142679
PubChem CID:	53074717
Reduced:	ClS2N3O4C22H26 (1)
Stoich.:	AB2C3D4E22F26 (1)
Weight, g/mol:	467.191249
ΔH_f, kcal/mol:	-127.32
Dipole, Da:	4.71
IP(EA), eV:	-9.26(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)N4CCCC4

DOS

IR

Vibrations