Geometry & MOs

Info

ID:	322103
PubChem CID:	126668632
Reduced:	BrNO2C18H18 (1)
Stoich.:	ABC2D18E18 (1)
Weight, g/mol:	327.104148
ΔH_f, kcal/mol:	-29.97
Dipole, Da:	2.75
IP(EA), eV:	-8.59(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)Br)NC2=CC=CC(=C2)/C=C/C(=O)OC

DOS

IR

Vibrations