Geometry & MOs

Info

ID:	190694
PubChem CID:	78042669
Reduced:	SN2O6C14H22 (1)
Stoich.:	AB2C6D14E22 (1)
Weight, g/mol:	543.256958
ΔH_f, kcal/mol:	-264.47
Dipole, Da:	4.59
IP(EA), eV:	-8.98(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-[2-[[2-[[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazol-5-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CSC1=CC(=O)N(C1=O)C)C(O)OC

DOS

IR

Vibrations