Geometry & MOs

Info

ID:	159025
PubChem CID:	57244579
Reduced:	NPO3C24H38 (1)
Stoich.:	ABC3D24E38 (1)
Weight, g/mol:	382.164105
ΔH_f, kcal/mol:	-183.0
Dipole, Da:	6.72
IP(EA), eV:	-9.39(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-cyclopropyl-4-[2-methyl-4-(3-methyl-2H-triazol-1-yl)benzoyl]-1,2-oxazole-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@]12CCC[C@H]1[C@@H]3CC=C4CC(CC([C@@]4([C@@H]3CC2)C)NC(=O)C(C)(C)C)P(=O)=O

DOS

IR

Vibrations