Geometry & MOs

Info

ID:	354779
PubChem CID:	127287539
Reduced:	ClSN3O4C15H18 (1)
Stoich.:	ABC3D4E15F18 (1)
Weight, g/mol:	332.184841
ΔH_f, kcal/mol:	-136.4
Dipole, Da:	5.21
IP(EA), eV:	-9.41(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(morpholin-4-ylmethyl)phenyl]-5-oxo-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=C(C=CC(=C2)NC(=O)N3CCS(=O)(=O)CC3)Cl

DOS

IR

Vibrations