Geometry & MOs

Info

ID:	417045
PubChem CID:	135091216
Reduced:	N5O7C34H47 (1)
Stoich.:	A5B7C34D47 (1)
Weight, g/mol:	304.099397
ΔH_f, kcal/mol:	-277.19
Dipole, Da:	3.19
IP(EA), eV:	-8.81(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N1)C(=O)COC)C)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations