Geometry & MOs

Info

ID:	431756
PubChem CID:	135171860
Reduced:	SF3O3N5C26H34 (1)
Stoich.:	AB3C3D5E26F34 (1)
Weight, g/mol:	378.215472
ΔH_f, kcal/mol:	-228.1
Dipole, Da:	7.67
IP(EA), eV:	-9.21(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-[2-methylpropyl(oxan-4-yl)amino]-3-nitrophenyl]butanoate

Drug info:

PubChemData

Smile

CC(C)CN(C1CCN(CC1)C(=O)C2CC2)C3=C(C=C(C=C3)C(C)CC(=O)O)NC4=NC(=NS4)C(F)(F)F

DOS

IR

Vibrations