Geometry & MOs

Info

ID:	243492
PubChem CID:	99224349
Reduced:	ClSO3N4C18H27 (1)
Stoich.:	ABC3D4E18F27 (1)
Weight, g/mol:	414.14924
ΔH_f, kcal/mol:	-119.26
Dipole, Da:	5.14
IP(EA), eV:	-8.82(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-4-[(3S)-3-methylpiperidin-1-yl]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