Geometry & MOs

Info

ID:	162417
PubChem CID:	57394596
Reduced:	ClSN2O5C19H19 (1)
Stoich.:	ABC2D5E19F19 (1)
Weight, g/mol:	394.065714
ΔH_f, kcal/mol:	-114.62
Dipole, Da:	2.38
IP(EA), eV:	-9.3(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-5-(4-methoxyphenyl)thiophene-2-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC[C@H](C(=O)N(C1)O)NS(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl

DOS

IR

Vibrations