Geometry & MOs

Info

ID:	188340
PubChem CID:	77701738
Reduced:	NSO4C8H13 (1)
Stoich.:	ABC4D8E13 (1)
Weight, g/mol:	402.19032
ΔH_f, kcal/mol:	-179.8
Dipole, Da:	6.32
IP(EA), eV:	-9.52(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(phenylmethoxycarbonylamino)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]carbamic acid

Drug info:

PubChemData

Smile

C1CC(NC1)(C(=O)O)SCCC(=O)O

DOS

IR

Vibrations