Geometry & MOs

Info

ID:	44008
PubChem CID:	10322872
Reduced:	N3O5C27H33 (1)
Stoich.:	A3B5C27D33 (1)
Weight, g/mol:	479.138759
ΔH_f, kcal/mol:	-174.01
Dipole, Da:	4.21
IP(EA), eV:	-9.38(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-butyl [1-[diethoxyphosphoryl(methyl)amino]-2-methyl-2-phenylsulfanylpropyl]sulfanylmethanethioate

Drug info:

PubChemData

Smile

C1CCC(CC1)C[C@@H](C(=O)N[C@H]2CCCN(CC2=O)C(=O)C3=CC=CC=C3)NC(=O)C4=CC=CO4

DOS

IR

Vibrations