Geometry & MOs

Info

ID:	243493
PubChem CID:	99224350
Reduced:	ClSO3N4C18H27 (1)
Stoich.:	ABC3D4E18F27 (1)
Weight, g/mol:	477.07369
ΔH_f, kcal/mol:	-117.78
Dipole, Da:	4.57
IP(EA), eV:	-8.82(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCCN(C1)S(=O)(=O)N2CCCN(CC2)C(=O)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations