Geometry & MOs

Info

ID:	243489
PubChem CID:	99224336
Reduced:	S2N3O5C23H31 (1)
Stoich.:	A2B3C5D23E31 (1)
Weight, g/mol:	452.118812
ΔH_f, kcal/mol:	-172.88
Dipole, Da:	6.01
IP(EA), eV:	-9.5(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-methylpyridin-2-yl)-3-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]propanamide

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)[C@H](C)N(CC(=O)N)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations