Geometry & MOs

Info

ID:	414841
PubChem CID:	135087813
Reduced:	SN2O3C19H26 (1)
Stoich.:	AB2C3D19E26 (1)
Weight, g/mol:	395.166748
ΔH_f, kcal/mol:	-116.13
Dipole, Da:	5.74
IP(EA), eV:	-8.02(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CCCCS(=O)(=O)N1CCC2(CC1)C3=C(CCO2)C4=CC=CC=C4N3

DOS

IR

Vibrations