Geometry & MOs

Info

ID:	414669
PubChem CID:	135087628
Reduced:	S2N3O4C15H19 (1)
Stoich.:	A2B3C4D15E19 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	-115.68
Dipole, Da:	6.82
IP(EA), eV:	-9.42(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=CC3=C(C=C2)SC=N3

DOS

IR

Vibrations