Geometry & MOs

Info

ID:	146328
PubChem CID:	53671054
Reduced:	SN2O5C17H22 (1)
Stoich.:	AB2C5D17E22 (1)
Weight, g/mol:	363.96633
ΔH_f, kcal/mol:	-142.78
Dipole, Da:	10.48
IP(EA), eV:	-9.58(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-bromo-1,2-thiazol-3-yl)methylsulfanyl]ethyl]-4-nitro-3,4-dihydro-2H-pyrrol-5-amine

Drug info:

PubChemData

Smile

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C2CCCC2(C(=O)N)O

DOS

IR

Vibrations