Geometry & MOs

Info

ID:	177261
PubChem CID:	76155774
Reduced:	BrF2O2H11C12 (1)
Stoich.:	AB2C2D11E12 (1)
Weight, g/mol:	506.18352
ΔH_f, kcal/mol:	-149.55
Dipole, Da:	2.55
IP(EA), eV:	-9.64(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-amino-1-[[3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-oxopropyl]-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(=C(C1=CC=CC=C1)O)C(=O)C(CBr)(F)F

DOS

IR

Vibrations