Geometry & MOs

Info

ID:	139108
PubChem CID:	52473618
Reduced:	O2S2N5C18H21 (1)
Stoich.:	A2B2C5D18E21 (1)
Weight, g/mol:	411.068689
ΔH_f, kcal/mol:	34.78
Dipole, Da:	9.51
IP(EA), eV:	-8.8(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(2-thiophen-2-ylethyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)N2C(=NN=N2)S[C@H](C)C(=O)NCCC3=CC=CS3

DOS

IR

Vibrations