Geometry & MOs

Info

ID:	243491
PubChem CID:	99224348
Reduced:	ClFSN3O5C20H23 (1)
Stoich.:	ABCD3E5F20G23 (1)
Weight, g/mol:	414.14924
ΔH_f, kcal/mol:	-202.41
Dipole, Da:	8.53
IP(EA), eV:	-8.75(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1OC)S(=O)(=O)N2CCCN(CC2)C(=O)NC3=CC=C(C=C3)Cl)F

DOS

IR

Vibrations