Geometry & MOs

Info

ID:	415383
PubChem CID:	135088377
Reduced:	NSO5C17H25 (1)
Stoich.:	ABC5D17E25 (1)
Weight, g/mol:	342.194343
ΔH_f, kcal/mol:	-223.13
Dipole, Da:	5.62
IP(EA), eV:	-9.88(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-2,2-dimethyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)S(=O)(=O)N2CC[C@@H]([C@@H](C2)O)C(=O)O

DOS

IR

Vibrations