Geometry & MOs

Info

ID:	417880
PubChem CID:	135102951
Reduced:	O3N6C33H40 (1)
Stoich.:	A3B6C33D40 (1)
Weight, g/mol:	363.161663
ΔH_f, kcal/mol:	-64.6
Dipole, Da:	7.26
IP(EA), eV:	-9.03(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3S,4R)-4-(diethylsulfamoylamino)oxolan-3-yl]methyl]quinoline

Drug info:

PubChemData

Smile

C1CCN(CCCN([C@H]2C[C@@H](C(=O)NC1)N(C2)C(=O)C3CC4=CC=CC=C4C3)C(=O)C5=CC=CC=C5)CC6=CN=CN6

DOS

IR

Vibrations