Geometry & MOs

Info

ID:	153553
PubChem CID:	56312801
Reduced:	BrN3O4H22C24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	474.03612
ΔH_f, kcal/mol:	-78.89
Dipole, Da:	6.0
IP(EA), eV:	-9.2(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(OC1)COC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations