Geometry & MOs

Info

ID:	398892
PubChem CID:	135036098
Reduced:	P2O3H28C30 (1)
Stoich.:	A2B3C28D30 (1)
Weight, g/mol:	189.118735
ΔH_f, kcal/mol:	-91.61
Dipole, Da:	4.07
IP(EA), eV:	-9.79(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-N-(2-sulfanylethyl)propanamide

Drug info:

PubChemData

Smile

C1CC(C(=O)C(C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)P(=O)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations