Geometry & MOs

Info

ID:	218616
PubChem CID:	85089695
Reduced:	OSN2C31H36 (1)
Stoich.:	ABC2D31E36 (1)
Weight, g/mol:	484.304028
ΔH_f, kcal/mol:	32.97
Dipole, Da:	1.9
IP(EA), eV:	-7.84(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-7,11-dimethyl-5-trimethylsilyloxydodec-10-enoate

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(=C2C(=S)N(C3=CC=CC=C3)C(=O)C=CC4=CC=CC=C4)N5CCCCC5)C)C

DOS

IR

Vibrations