Geometry & MOs

Info

ID:	430769
PubChem CID:	135170836
Reduced:	ClSN4O4C15H15 (1)
Stoich.:	ABC4D4E15F15 (1)
Weight, g/mol:	442.211724
ΔH_f, kcal/mol:	-91.25
Dipole, Da:	2.36
IP(EA), eV:	-8.78(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3R)-3-(1,3-benzoxazol-5-ylmethylamino)cyclohexyl]-6-cyano-N-ethyl-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=N1)Cl)SNC2=CC3=C(N=C2)OCCN(C3)C(=O)O

DOS

IR

Vibrations