Geometry & MOs

Info

ID:	242775
PubChem CID:	99206241
Reduced:	O4N5H17C20 (1)
Stoich.:	A4B5C17D20 (1)
Weight, g/mol:	463.00238
ΔH_f, kcal/mol:	-59.43
Dipole, Da:	6.23
IP(EA), eV:	-8.32(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-methylthiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)NC1=CC=C(C=C1)NC(=O)C2=CNN3C2=NC(=O)C4=CC=CC=C43

DOS

IR

Vibrations