Geometry & MOs

Info

ID:	392984
PubChem CID:	135018769
Reduced:	O4C23H26 (1)
Stoich.:	A4B23C26 (1)
Weight, g/mol:	314.072513
ΔH_f, kcal/mol:	-160.91
Dipole, Da:	2.41
IP(EA), eV:	-8.97(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-(4-methoxyphenyl)-3-nitro-1-phenylazetidine-2-thione

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC2=C(C1)C(=C(C=C2C)C3=CC=CC=C3)C)C(=O)OCC

DOS

IR

Vibrations