Geometry & MOs

Info

ID:	194220
PubChem CID:	78500873
Reduced:	NO2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	407.075133
ΔH_f, kcal/mol:	-122.86
Dipole, Da:	1.51
IP(EA), eV:	-9.17(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)C)NC(=O)COC(=O)C2=C(ON=C2C)C

DOS

IR

Vibrations