Geometry & MOs

Info

ID:	49081
PubChem CID:	11528689
Reduced:	NSO3C10H11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	225.115364
ΔH_f, kcal/mol:	-37.29
Dipole, Da:	3.57
IP(EA), eV:	-9.63(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-phenylbenzenecarboximidate

Drug info:

PubChemData

Smile

CC(=O)S[C@@H](C[N+](=O)[O-])C1=CC=CC=C1

DOS

IR

Vibrations