Geometry & MOs

Info

ID:	384874
PubChem CID:	134977833
Reduced:	BrNOPC27H31 (1)
Stoich.:	ABCDE27F31 (1)
Weight, g/mol:	649.41984
ΔH_f, kcal/mol:	-13.2
Dipole, Da:	5.48
IP(EA), eV:	-8.72(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octadecyl N-[3-[bromo(tributyl)-lambda5-phosphanyl]propanoyl]carbamate

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CCP(C2=CC=CC=C2)(C3=CC=CC=C3)(C4=CC=CC=C4)Br

DOS

IR

Vibrations