Geometry & MOs

Info

ID:	391663
PubChem CID:	135008045
Reduced:	ClHgNSO4H14C17 (1)
Stoich.:	ABCDE4F14G17 (1)
Weight, g/mol:	294.113506
ΔH_f, kcal/mol:	-18.95
Dipole, Da:	17.26
IP(EA), eV:	-7.16(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(2-amino-5-chlorophenyl)-2,3-dihydropyrrole-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC=C3[Hg]Cl)C(=O)OC

DOS

IR

Vibrations