Geometry & MOs

Info

ID:	400868
PubChem CID:	135049304
Reduced:	N2P3C13O15H17 (1)
Stoich.:	A2B3C13D15E17 (1)
Weight, g/mol:	430.18076
ΔH_f, kcal/mol:	-801.95
Dipole, Da:	11.92
IP(EA), eV:	-10.67(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bromo-methoxycarbonyl-tricyclohexylphosphaniumylboranuide

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]1OC(=O)C)C2=CC(=O)NC(=O)N2)COP3OP(=O)(OP(=O)(O3)O)O

DOS

IR

Vibrations