Geometry & MOs

Info

ID:	141508
PubChem CID:	52885608
Reduced:	O3N5C12H13 (1)
Stoich.:	A3B5C12D13 (1)
Weight, g/mol:	359.130363
ΔH_f, kcal/mol:	-15.62
Dipole, Da:	4.79
IP(EA), eV:	-9.04(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-phenylphenyl)sulfonyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C[C@H](CO2)C(=O)NC3=NNN=N3)C=C1

DOS

IR

Vibrations