Geometry & MOs

Info

ID:	236984
PubChem CID:	92716603
Reduced:	ClN2O3H21C25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	413.188546
ΔH_f, kcal/mol:	-50.99
Dipole, Da:	6.04
IP(EA), eV:	-8.68(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]-N-[(2S)-4-phenylbutan-2-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H](C2=CC=C(C=C2)Cl)NC(=O)COC(=O)CC3=CNC4=CC=CC=C43

DOS

IR

Vibrations