Geometry & MOs

Info

ID:	354774
PubChem CID:	127287534
Reduced:	SN3O4C16H21 (1)
Stoich.:	AB3C4D16E21 (1)
Weight, g/mol:	346.164105
ΔH_f, kcal/mol:	-149.52
Dipole, Da:	6.91
IP(EA), eV:	-9.3(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(morpholine-4-carbonyl)phenyl]-5-oxo-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CC=C(C=C2)NC(=O)N3CCS(=O)(=O)CC3

DOS

IR

Vibrations