Geometry & MOs

Info

ID:	154315
PubChem CID:	56313728
Reduced:	S2N3O3C20H27 (1)
Stoich.:	A2B3C3D20E27 (1)
Weight, g/mol:	427.171891
ΔH_f, kcal/mol:	-89.66
Dipole, Da:	7.62
IP(EA), eV:	-8.26(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-4-(trifluoromethyl)phenyl]carbamate

Drug info:

PubChemData

Smile

CC1CCN(CC1)CCNC(=O)C2=C(C=CS2)S(=O)(=O)NC3=CC=C(C=C3)C

DOS

IR

Vibrations