Geometry & MOs

Info

ID:	143686
PubChem CID:	53247632
Reduced:	N3O3C26H33 (1)
Stoich.:	A3B3C26D33 (1)
Weight, g/mol:	357.233535
ΔH_f, kcal/mol:	-110.12
Dipole, Da:	9.42
IP(EA), eV:	-8.04(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxohept-6-en-3-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C=C1NC(=O)C2=CNC3=C(C2=O)C=C(C=C3)N(C)C)O)C(C)(C)C

DOS

IR

Vibrations