Geometry & MOs

Info

ID:	64639
PubChem CID:	29203717
Reduced:	S2N3O4C23H23 (1)
Stoich.:	A2B3C4D23E23 (1)
Weight, g/mol:	454.134462
ΔH_f, kcal/mol:	-72.66
Dipole, Da:	8.66
IP(EA), eV:	-9.14(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(cyclohexylcarbamoyl)-2-[[5-(dimethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)CCCCC(=O)NC3=CC(=CC=C3)S(=O)(=O)NCC4=CC=CO4

DOS

IR

Vibrations