Geometry & MOs

Info

ID:	447353
PubChem CID:	135282202
Reduced:	FO3N5C18H24 (1)
Stoich.:	AB3C5D18E24 (1)
Weight, g/mol:	365.090864
ΔH_f, kcal/mol:	-119.73
Dipole, Da:	1.98
IP(EA), eV:	-9.36(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-2-[(4-methylphenyl)sulfonylamino]-2-(trifluoromethyl)pent-4-enoate

Drug info:

PubChemData

Smile

CC(C)CC(C)(COC1=C(C=C(C=N1)C2=NC(=NC=C2)NC(=O)OC)F)N

DOS

IR

Vibrations