Geometry & MOs

Info

ID:	422766
PubChem CID:	135118369
Reduced:	SN3O3C18H23 (1)
Stoich.:	AB3C3D18E23 (1)
Weight, g/mol:	396.161997
ΔH_f, kcal/mol:	-35.27
Dipole, Da:	2.93
IP(EA), eV:	-9.07(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(dimethylamino)methyl]-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CN2C[C@H]3CN([C@@H](C2)COC3)C(=O)C4=CC(=NO4)C

DOS

IR

Vibrations