Geometry & MOs

Info

ID:	68757
PubChem CID:	46509035
Reduced:	SO3N4C26H30 (1)
Stoich.:	AB3C4D26E30 (1)
Weight, g/mol:	392.079925
ΔH_f, kcal/mol:	-88.51
Dipole, Da:	4.57
IP(EA), eV:	-8.59(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C(CC(C)C)N3C(=O)C4CC=CCC4C3=O)C

DOS

IR

Vibrations