Geometry & MOs

Info

ID:	243494
PubChem CID:	99224355
Reduced:	ClSF3N3O4C19H19 (1)
Stoich.:	ABC3D3E4F19G19 (1)
Weight, g/mol:	461.013446
ΔH_f, kcal/mol:	-285.85
Dipole, Da:	9.83
IP(EA), eV:	-8.41(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-4-(3,5-dichlorophenyl)sulfonyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F)C(=O)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations