Geometry & MOs

Info

ID:	131068
PubChem CID:	51150099
Reduced:	N2O3C21H26 (1)
Stoich.:	A2B3C21D26 (1)
Weight, g/mol:	340.105705
ΔH_f, kcal/mol:	-100.57
Dipole, Da:	2.7
IP(EA), eV:	-9.15(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,4-difluorophenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CCNC(=O)C2CC(=O)N(C2)CC3=CC=CO3

DOS

IR

Vibrations