Geometry & MOs

Info

ID:	402969
PubChem CID:	135058122
Reduced:	BrSN2O5C14H19 (1)
Stoich.:	ABC2D5E14F19 (1)
Weight, g/mol:	384.142522
ΔH_f, kcal/mol:	-115.22
Dipole, Da:	2.91
IP(EA), eV:	-10.26(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-1-[butyl(phenyl)phosphoryl]-1-(1,3-thiazol-2-yl)methanamine

Drug info:

PubChemData

Smile

C1CC[C@@H]([C@H](C1)OCCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])Br

DOS

IR

Vibrations