Geometry & MOs

Info

ID:	43259
PubChem CID:	10320360
Reduced:	NCl2O7H15C18 (1)
Stoich.:	AB2C7D15E18 (1)
Weight, g/mol:	428.155906
ΔH_f, kcal/mol:	-246.2
Dipole, Da:	2.35
IP(EA), eV:	-9.88(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-2-[4-(1-acetamidocyclopropyl)-2,3,5-trifluorobenzoyl]-3-[[(2S)-1-hydroxypropan-2-yl]amino]prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)C(=O)OCC(=O)[C@H](CCC(=O)O)NC(=O)C2=CC=CO2)Cl

DOS

IR

Vibrations