Geometry & MOs

Info

ID:	336074
PubChem CID:	127255081
Reduced:	BrO4N6C25H25 (1)
Stoich.:	AB4C6D25E25 (1)
Weight, g/mol:	422.108248
ΔH_f, kcal/mol:	-48.5
Dipole, Da:	1.68
IP(EA), eV:	-8.75(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-amino-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-oxo-2H-pyrrol-1-yl]-N,N-dimethylethanesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCC(CN2C3=C(N=C2N/N=C/C(=C\C4=CC=CC=C4)/Br)N(C(=O)NC3=O)C)O

DOS

IR

Vibrations