Geometry & MOs

Info

ID:	402970
PubChem CID:	135058126
Reduced:	OPSN2C21H25 (1)
Stoich.:	ABCD2E21F25 (1)
Weight, g/mol:	342.095571
ΔH_f, kcal/mol:	-5.71
Dipole, Da:	3.05
IP(EA), eV:	-8.98(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-1-[methyl(phenyl)phosphoryl]-1-(1,3-thiazol-2-yl)methanamine

Drug info:

PubChemData

Smile

CCCCP(=O)(C1=CC=CC=C1)C(C2=NC=CS2)NCC3=CC=CC=C3

DOS

IR

Vibrations