Geometry & MOs

Info

ID:	143748
PubChem CID:	53253967
Reduced:	S2Si4O7C49H94 (1)
Stoich.:	A2B4C7D49E94 (1)
Weight, g/mol:	278.090272
ΔH_f, kcal/mol:	-554.25
Dipole, Da:	7.17
IP(EA), eV:	-8.49(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl N-[3-(3-nitrophenyl)prop-2-ynoxy]carbamate

Drug info:

Smile

C[C@H]([C@H](C/C=C/C=C/C=C/C=C/C(=O)OC)O[Si](C)(C)C(C)(C)C)C1(SCCCS1)C[C@@H](C[C@@H](C[C@@H](C=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations