Geometry & MOs

Info

ID:	44192
PubChem CID:	10501870
Reduced:	NO7C22H23 (1)
Stoich.:	AB7C22D23 (1)
Weight, g/mol:	413.16608
ΔH_f, kcal/mol:	-176.27
Dipole, Da:	4.96
IP(EA), eV:	-9.62(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethyl] 2-prop-2-enoxybenzenecarbothioate

Drug info:

PubChemData

Smile

C1CC(=O)O[C@H]1[C@H](CCCOCC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations