Geometry & MOs

Info

ID:	190364
PubChem CID:	77992430
Reduced:	ClNSO6C37H46 (1)
Stoich.:	ABCD6E37F46 (1)
Weight, g/mol:	317.00514
ΔH_f, kcal/mol:	-192.01
Dipole, Da:	5.77
IP(EA), eV:	-9.43(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-aminophenyl)-[3-(4-bromophenyl)oxiran-2-yl]methanone

Drug info:

PubChemData

Smile

CCC=CCC=CCC=CCC=CCC=CCCC(=O)CC(=O)OC(=O)C=C1CN(CCC1S)C(C2=CC=CC=C2Cl)C(=O)OC

DOS

IR

Vibrations