Geometry & MOs

Info

ID:	297256
PubChem CID:	117614188
Reduced:	ON6C20H22 (1)
Stoich.:	AB6C20D22 (1)
Weight, g/mol:	492.223592
ΔH_f, kcal/mol:	72.16
Dipole, Da:	8.52
IP(EA), eV:	-8.86(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-2-[3-butyl-5-[(4-methylphenyl)carbamoylamino]-4-(4,4,4-trifluorobutoxy)phenyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC[C@@H]([C@H](C1)C#N)N2C3=CC=NC(=O)C3=C(N2)NC4=CC=C(C=C4)CN

DOS

IR

Vibrations