Geometry & MOs

Info

ID:	61100
PubChem CID:	26705688
Reduced:	ClFSN4O4C22H27 (1)
Stoich.:	ABCD4E4F22G27 (1)
Weight, g/mol:	499.214092
ΔH_f, kcal/mol:	-132.15
Dipole, Da:	9.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752055
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide

Drug info:

PubChemData

Smile

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=C(C=C(C=C4)Cl)F

DOS

IR

Vibrations