Geometry & MOs

Info

ID:	337181
PubChem CID:	127256746
Reduced:	ClO2N3C9H10 (2)
Stoich.:	AB2C3D9E10 (2)
Weight, g/mol:	892.448012
ΔH_f, kcal/mol:	-33.23
Dipole, Da:	6.75
IP(EA), eV:	-9.84(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-bis(dioctoxyphosphinothioylsulfanyl)-N-[(propanoylamino)methoxymethyl]propanamide

Drug info:

PubChemData

Smile

C1C=C(C=CC1(NC(=O)N(CCCl)N=O)NC(=O)N(CCCl)N=O)C2=CC=CC=C2

DOS

IR

Vibrations