Geometry & MOs

Info

ID:	222001
PubChem CID:	85293291
Reduced:	N2O4C27H32 (1)
Stoich.:	A2B4C27D32 (1)
Weight, g/mol:	448.246743
ΔH_f, kcal/mol:	-116.57
Dipole, Da:	5.36
IP(EA), eV:	-8.95(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2-phenylmethoxyhept-4-ynethioate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CC3CC(C(C3C(=O)N2CC4=CC=CC(=C4)CN)C(=O)OC)C=C

DOS

IR

Vibrations