Geometry & MOs

Info

ID:	229542
PubChem CID:	87567976
Reduced:	SN3O8C18H23 (1)
Stoich.:	AB3C8D18E23 (1)
Weight, g/mol:	399.04105
ΔH_f, kcal/mol:	-315.5
Dipole, Da:	7.48
IP(EA), eV:	-9.31(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[2-bromo-4-(ethylaminomethyl)phenyl]-difluoromethyl]-butan-2-yloxyphosphinic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1O)O)CC=N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O

DOS

IR

Vibrations