Geometry & MOs

Info

ID:	305457
PubChem CID:	124807326
Reduced:	N2S2O3C15H24 (1)
Stoich.:	A2B2C3D15E24 (1)
Weight, g/mol:	317.131031
ΔH_f, kcal/mol:	-100.92
Dipole, Da:	3.55
IP(EA), eV:	-9.31(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3R,3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1C[C@@H]2CCC[C@@]2(C1)COCC3=CSC(=N3)C

DOS

IR

Vibrations