Geometry & MOs

Info

ID:	36547
PubChem CID:	8008401
Reduced:	SCl2N2O3C16H16 (1)
Stoich.:	AB2C2D3E16F16 (1)
Weight, g/mol:	418.180053
ΔH_f, kcal/mol:	-94.99
Dipole, Da:	4.05
IP(EA), eV:	-9.78(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3-methoxyphenyl)methyl-[(2S)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl]azanium

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=C(C=C1)Cl)Cl)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NC

DOS

IR

Vibrations