Geometry & MOs

Info

ID:	245581
PubChem CID:	99455178
Reduced:	O2S2N5H17C22 (1)
Stoich.:	A2B2C5D17E22 (1)
Weight, g/mol:	422.1334
ΔH_f, kcal/mol:	56.27
Dipole, Da:	8.07
IP(EA), eV:	-8.16(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=C12)C)C3=CC=CO3)C(=O)NC4=CC(=CC=C4)N5C=CNC5=S

DOS

IR

Vibrations