Geometry & MOs

Info

ID:	37728
PubChem CID:	8023756
Reduced:	Cl3O3N4H10C13 (1)
Stoich.:	A3B3C4D10E13 (1)
Weight, g/mol:	405.135842
ΔH_f, kcal/mol:	-42.68
Dipole, Da:	7.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.110021
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[[2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]benzoate

Drug info:

PubChemData

Smile

C1=CC(=CNNC(=O)C2=[NH+]C(=C(C(=C2Cl)N)Cl)Cl)C(=CC1=O)O

DOS

IR

Vibrations