Geometry & MOs

Info

ID:	185501
PubChem CID:	77306711
Reduced:	INO3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	446.028753
ΔH_f, kcal/mol:	-111.36
Dipole, Da:	6.01
IP(EA), eV:	-9.65(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[(1-carboxy-2-methyl-2-phenylcyclopropyl)-sulfinatoamino]-5-(4-chlorophenyl)thiophene

Drug info:

PubChemData

Smile

CC1(CN(C(=O)C1CCI)CCC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations