Geometry & MOs

Info

ID:	213520
PubChem CID:	81064002
Reduced:	BrSN2O3C14H23 (1)
Stoich.:	ABC2D3E14F23 (1)
Weight, g/mol:	318.172562
ΔH_f, kcal/mol:	-108.82
Dipole, Da:	5.64
IP(EA), eV:	-8.76(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-aminopropyl)-N-(2-ethoxyethyl)-N,3,5-trimethylpyrazole-4-sulfonamide

Drug info:

PubChemData

Smile

CCNCC1=CC(=C(C=C1)S(=O)(=O)N(C)CCOCC)Br

DOS

IR

Vibrations