Geometry & MOs

Info

ID:	61778
PubChem CID:	26712863
Reduced:	BrN2O3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	492.98625
ΔH_f, kcal/mol:	-77.15
Dipole, Da:	3.26
IP(EA), eV:	-8.91(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-3-chloro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)/C=C/C(=O)NCC(=O)NC2=C(C=C(C=C2)Br)C

DOS

IR

Vibrations