Geometry & MOs

Info

ID:	431532
PubChem CID:	135171620
Reduced:	SN4O5C23H24 (1)
Stoich.:	AB4C5D23E24 (1)
Weight, g/mol:	275.071306
ΔH_f, kcal/mol:	-94.36
Dipole, Da:	10.34
IP(EA), eV:	-9.04(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[3-(aminomethyl)phenyl]phenyl]methyl carbonochloridate

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=C(C(=C2)C#CC3=CN=CN=C3)NS(=O)(=O)C)CC(=O)OC(C)(C)C

DOS

IR

Vibrations