Geometry & MOs

Info

ID:	19860
PubChem CID:	574286
Reduced:	BrSO3H19C23 (1)
Stoich.:	ABC3D19E23 (1)
Weight, g/mol:	454.02383
ΔH_f, kcal/mol:	-31.09
Dipole, Da:	4.29
IP(EA), eV:	-9.48(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-(4-bromophenyl)-3-(thiophene-2-carbonyl)cyclopropyl]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)C2C(C2C(=O)C3=CC=CS3)C4=CC=C(C=C4)Br

DOS

IR

Vibrations