Geometry & MOs

Info

ID:	155993
PubChem CID:	56368643
Reduced:	BrN3O4C19H20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	453.193357
ΔH_f, kcal/mol:	-85.95
Dipole, Da:	3.93
IP(EA), eV:	-9.59(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 4-[3-[(4-acetylphenyl)sulfonylamino]propanoyl]-1,4-diazepane-1-carboxylate

Drug info:

PubChemData

Smile

C1CC1NC(=O)C(CC2=CC=CC=C2)NC(=O)CNC(=O)C3=CC=C(O3)Br

DOS

IR

Vibrations