Geometry & MOs

Info

ID:	305351
PubChem CID:	124772043
Reduced:	SN3O5C27H37 (1)
Stoich.:	AB3C5D27E37 (1)
Weight, g/mol:	377.188546
ΔH_f, kcal/mol:	-157.64
Dipole, Da:	7.72
IP(EA), eV:	-9.07(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(1S,2R)-2-methylcyclohexyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)/C=C\C4=CC=C(C=C4)OC

DOS

IR

Vibrations