Geometry & MOs

Info

ID:	243169
PubChem CID:	99216375
Reduced:	NSO2C10H15 (2)
Stoich.:	ABC2D10E15 (2)
Weight, g/mol:	454.078777
ΔH_f, kcal/mol:	-160.54
Dipole, Da:	3.09
IP(EA), eV:	-8.76(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-2-methoxy-5-(1,4-thiazepane-4-carbonyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCSCC3)OC)C

DOS

IR

Vibrations