Geometry & MOs

Info

ID:	157566
PubChem CID:	56435742
Reduced:	NSO3C20H29 (1)
Stoich.:	ABC3D20E29 (1)
Weight, g/mol:	453.229742
ΔH_f, kcal/mol:	-133.88
Dipole, Da:	3.81
IP(EA), eV:	-8.68(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzoyl]-ethylamino]-2-methylpropanoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCC(CC1)C2OCCO2)SCC3=CC=CC=C3

DOS

IR

Vibrations