Geometry & MOs

Info

ID:	44942
PubChem CID:	10506692
Reduced:	OS2N6C21H27 (1)
Stoich.:	AB2C6D21E27 (1)
Weight, g/mol:	545.231582
ΔH_f, kcal/mol:	52.15
Dipole, Da:	4.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.324477
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methoxyphenyl)methyl]-N-(tributylstannylmethyl)benzamide

Drug info:

PubChemData

Smile

CC(=O)NC\1=NC(=[N+](C)C)S/C1=C/2\C(=C\C3=CC=C(C=C3)N(C)C)\SC(=N2)N(C)C

DOS

IR

Vibrations