Geometry & MOs

Info

ID:	157480
PubChem CID:	56430458
Reduced:	S2N3O4H23C24 (1)
Stoich.:	A2B3C4D23E24 (1)
Weight, g/mol:	395.01908
ΔH_f, kcal/mol:	-90.58
Dipole, Da:	4.82
IP(EA), eV:	-8.75(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-methylphenyl)propanoylamino]ethyl 5-bromothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CCC(=O)NCCOC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CS4

DOS

IR

Vibrations