Geometry & MOs

Info

ID:	423820
PubChem CID:	135120365
Reduced:	SN3O3C17H21 (1)
Stoich.:	AB3C3D17E21 (1)
Weight, g/mol:	326.199428
ΔH_f, kcal/mol:	-91.65
Dipole, Da:	3.33
IP(EA), eV:	-9.17(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCS(=O)(=O)NC1=CC=C(C=C1)C(=O)NC(C)C2=CN=C(C=C2)C

DOS

IR

Vibrations