Geometry & MOs

Info

ID:	231513
PubChem CID:	87573980
Reduced:	F3S3N9O9H40C47 (1)
Stoich.:	A3B3C9D9E40F47 (1)
Weight, g/mol:	468.432085
ΔH_f, kcal/mol:	-338.03
Dipole, Da:	18.75
IP(EA), eV:	-9.22(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyanamide;9-octylheptadecan-9-ylphosphane

Drug info:

PubChemData

Smile

C[C@@H](CCC(=O)O)C(=O)NC1=NC(=C(S1)C#N)C2=CC=CC=C2F.CC(CC(=O)O)C(=O)NC1=NC(=C(S1)C#N)C2=CC=CC=C2F.CC(C)(CC(=O)O)C(=O)NC1=NC(=C(S1)C#N)C2=CC=CC=C2F

DOS

IR

Vibrations