Geometry & MOs

Info

ID:	156160
PubChem CID:	56369361
Reduced:	BrN3O4C19H24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	466.01328
ΔH_f, kcal/mol:	-122.63
Dipole, Da:	1.4
IP(EA), eV:	-8.79(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-4-bromo-1-ethylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)COC1=C(C=C(C=C1)CNC(=O)C2=CC(=CN2CC)Br)OC

DOS

IR

Vibrations