Geometry & MOs

Info

ID:	283337
PubChem CID:	103975978
Reduced:	O2N3C14H21 (1)
Stoich.:	A2B3C14D21 (1)
Weight, g/mol:	312.071468
ΔH_f, kcal/mol:	-70.55
Dipole, Da:	4.46
IP(EA), eV:	-8.25(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidin-3-yl]ethanamine

Drug info:

PubChemData

Smile

CC(C1CCN(C1)C(=O)NC2=CC=C(C=C2)OC)N

DOS

IR

Vibrations