Geometry & MOs

Info

ID:	229779
PubChem CID:	87568976
Reduced:	N3O4C14H15 (1)
Stoich.:	A3B4C14D15 (1)
Weight, g/mol:	378.095952
ΔH_f, kcal/mol:	-109.91
Dipole, Da:	4.2
IP(EA), eV:	-8.7(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzenecarbothioic S-acid;ethyl propanoate

Drug info:

PubChemData

Smile

C/C(=C/1\C=C(C=CC1=O)O)/NC(CC2=CN=CN2)C(=O)O

DOS

IR

Vibrations