Geometry & MOs

Info

ID:	426687
PubChem CID:	135153343
Reduced:	SO2F3N4C24H33 (1)
Stoich.:	AB2C3D4E24F33 (1)
Weight, g/mol:	362.220557
ΔH_f, kcal/mol:	-216.57
Dipole, Da:	9.68
IP(EA), eV:	-9.05(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[1-[4-[bis(2-methylpropyl)amino]-3-nitrophenyl]cyclopropyl]acetate

Drug info:

PubChemData

Smile

CC[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCCCC2)NC3=NC(=NS3)C(F)(F)F

DOS

IR

Vibrations