Geometry & MOs

Info

ID:	140880
PubChem CID:	52776190
Reduced:	OF3N4C25H27 (1)
Stoich.:	AB3C4D25E27 (1)
Weight, g/mol:	394.195309
ΔH_f, kcal/mol:	-104.41
Dipole, Da:	4.05
IP(EA), eV:	-8.86(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[(1S)-1-(4-methylphenyl)-2-[[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]amino]ethyl]azanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H](CNC(=O)C2=C(N(N=C2)C3=CC=CC(=C3)C(F)(F)F)C4CC4)N(C)C

DOS

IR

Vibrations