Geometry & MOs

Info

ID:	160320
PubChem CID:	57309667
Reduced:	SN2O3C15H20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	498.15896
ΔH_f, kcal/mol:	-116.15
Dipole, Da:	5.92
IP(EA), eV:	-9.15(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[4-(3-cyclohexylpropyl)-5-oxo-1,4-thiazepan-6-yl]carbamoyl]-2-formylphenyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CC1C(C(=O)NC2=CC=CC=C2S1)N

DOS

IR

Vibrations