Geometry & MOs

Info

ID:	47007
PubChem CID:	10528909
Reduced:	OS2N5H23C26 (1)
Stoich.:	AB2C5D23E26 (1)
Weight, g/mol:	484.009955
ΔH_f, kcal/mol:	115.96
Dipole, Da:	8.72
IP(EA), eV:	-7.89(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-bis(2-chloroethyl)-2-(4-chlorophenyl)-3-sulfanylidene-1H-benzo[f][1,3,2]benzoxazaphosphinin-3-amine

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C2CC(=O)N2C3=NN=C(S3)CN4C5=CC=CC=C5SC6=CC=CC=C64

DOS

IR

Vibrations