Geometry & MOs

Info

ID:	423797
PubChem CID:	135120244
Reduced:	O3N5C16H23 (1)
Stoich.:	A3B5C16D23 (1)
Weight, g/mol:	304.099397
ΔH_f, kcal/mol:	-41.35
Dipole, Da:	1.92
IP(EA), eV:	-8.79(0.18)
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-4-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)C(=O)CN3C(=CC(=N3)C)N

DOS

IR

Vibrations