Geometry & MOs

Info

ID:	438698
PubChem CID:	135228449
Reduced:	NO3C19H19 (1)
Stoich.:	AB3C19D19 (1)
Weight, g/mol:	178.045236
ΔH_f, kcal/mol:	-81.98
Dipole, Da:	4.99
IP(EA), eV:	-9.13(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopropylbenzenecarbothioic S-acid

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C(=C1)C(=O)N2CC3=CC=CC=C3C2)O)C=O

DOS

IR

Vibrations