Geometry & MOs

Info

ID:	159487
PubChem CID:	57288169
Reduced:	N2O3C11H12 (1)
Stoich.:	A2B3C11D12 (1)
Weight, g/mol:	534.113058
ΔH_f, kcal/mol:	-29.3
Dipole, Da:	7.13
IP(EA), eV:	-9.82(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1,5-bis[(4-methoxyphenyl)sulfonyl]-1,3-diazepine-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1CC(C2=C1C=CC(=C2)[N+](=O)[O-])N

DOS

IR

Vibrations