Geometry & MOs

Info

ID:	422337
PubChem CID:	135117662
Reduced:	O2N3C20H25 (1)
Stoich.:	A2B3C20D25 (1)
Weight, g/mol:	330.140199
ΔH_f, kcal/mol:	-59.18
Dipole, Da:	5.75
IP(EA), eV:	-9.25(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfanyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)(C(=O)N2C[C@H]([C@H](C2)O)CC3=CC=NC4=CC=CC=C34)N

DOS

IR

Vibrations