Geometry & MOs

Info

ID:	185502
PubChem CID:	77307037
Reduced:	ClNS2O4H17C21 (1)
Stoich.:	ABC2D4E17F21 (1)
Weight, g/mol:	447.036578
ΔH_f, kcal/mol:	-59.41
Dipole, Da:	6.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.993204
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-(4-chlorophenyl)thiophen-2-yl]-sulfinoamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CC1(C(=O)O)N(C2=CC=C(S2)C3=CC=C(C=C3)Cl)S(=O)[O-])C4=CC=CC=C4

DOS

IR

Vibrations