Geometry & MOs

Info

ID:	447533
PubChem CID:	135283676
Reduced:	N2O7C19H28 (1)
Stoich.:	A2B7C19D28 (1)
Weight, g/mol:	532.165952
ΔH_f, kcal/mol:	-312.73
Dipole, Da:	9.94
IP(EA), eV:	-9.6(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]-3-methoxypiperidin-1-yl]-1,3,4-thiadiazol-2-yl]propan-2-yl benzoate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N[C@@H]2CCN(C[C@@H]2OC)C(=O)O.C(CC(=O)O)C(=O)O

DOS

IR

Vibrations