Geometry & MOs

Info

ID:	229519
PubChem CID:	87567917
Reduced:	BrNPF2O3C16H23 (1)
Stoich.:	ABCD2E3F16G23 (1)
Weight, g/mol:	611.166665
ΔH_f, kcal/mol:	-287.43
Dipole, Da:	4.8
IP(EA), eV:	-9.1(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[4-[2-(benzenesulfonamido)-3-[[3-(dimethylamino)phenoxy]-propylamino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid

Drug info:

PubChemData

Smile

CCC(C)OP(=O)(C(C1=C(C=C(C=C1)CN2CCCC2)Br)(F)F)O

DOS

IR

Vibrations