Geometry & MOs

Info

ID:	420931
PubChem CID:	135115055
Reduced:	O3N4C21H24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	304.099397
ΔH_f, kcal/mol:	-59.24
Dipole, Da:	6.14
IP(EA), eV:	-8.94(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-1,3-thiazol-4-yl)-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)CC3=C(OC(=N3)C4=CC=CC=C4)C

DOS

IR

Vibrations