Geometry & MOs

Info

ID:	304696
PubChem CID:	124766067
Reduced:	N2O5H26C29 (1)
Stoich.:	A2B5C26D29 (1)
Weight, g/mol:	509.165428
ΔH_f, kcal/mol:	-129.05
Dipole, Da:	4.52
IP(EA), eV:	-9.46(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-N-phenylacetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)C)[C@](N2)(C5=CC=CC=C5)C(=O)OC

DOS

IR

Vibrations