Geometry & MOs

Info

ID:	139318
PubChem CID:	52508992
Reduced:	O2N3C23H23 (1)
Stoich.:	A2B3C23D23 (1)
Weight, g/mol:	370.107517
ΔH_f, kcal/mol:	-3.1
Dipole, Da:	3.15
IP(EA), eV:	-9.33(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)/C=C/C3=CC=C(C=C3)C#N

DOS

IR

Vibrations