Geometry & MOs

Info

ID:	189237
PubChem CID:	77831064
Reduced:	SN2F3O5C16H21 (1)
Stoich.:	AB2C3D5E16F21 (1)
Weight, g/mol:	385.139961
ΔH_f, kcal/mol:	-354.81
Dipole, Da:	2.69
IP(EA), eV:	-9.41(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-methyl-2-(4-nitrophenyl)-2-(phenylmethoxycarbonylamino)pentanoate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCOC(=O)C1(CN2C(C(C2=O)N)SC1)C=CC(F)(F)F

DOS

IR

Vibrations