Geometry & MOs

Info

ID:	297260
PubChem CID:	117614244
Reduced:	N3C8H11 (1)
Stoich.:	A3B8C11 (1)
Weight, g/mol:	494.21409
ΔH_f, kcal/mol:	71.55
Dipole, Da:	3.47
IP(EA), eV:	-8.25(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-2-[4-[cyclohexyl(3,3,3-trifluoropropyl)amino]-3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)N)/C=C\C=C

DOS

IR

Vibrations