Geometry & MOs

Info

ID:	7023
PubChem CID:	71003
Reduced:	NSO2H9C10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	207.0354
ΔH_f, kcal/mol:	-29.48
Dipole, Da:	2.81
IP(EA), eV:	-9.19(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-isothiocyanatobenzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)N=C=S

DOS

IR

Vibrations