Geometry & MOs

Info

ID:	323610
PubChem CID:	126675579
Reduced:	S2N5O5C25H27 (1)
Stoich.:	A2B5C5D25E27 (1)
Weight, g/mol:	506.162391
ΔH_f, kcal/mol:	-84.2
Dipole, Da:	9.24
IP(EA), eV:	-8.78(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(1-cyanocyclopropyl)carbamoyl]cyclohexyl]-6-(4-methylsulfonylphenyl)-1,3-benzoxazole-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(C(=O)NC2(CC2)C#N)NC(=O)C3=CC4=C(O3)C=C(C=C4)C5=CSC(=N5)NCCS(=O)O

DOS

IR

Vibrations