Geometry & MOs

Info

ID:	414783
PubChem CID:	135087746
Reduced:	NSO3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	339.158292
ΔH_f, kcal/mol:	-122.26
Dipole, Da:	3.88
IP(EA), eV:	-9.03(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N'-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclopropane-1,1-dicarboxamide

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)CC2=CSC=C2)C(=O)O

DOS

IR

Vibrations