Geometry & MOs

Info

ID:	170525
PubChem CID:	75247691
Reduced:	FPN7O15C28H35 (1)
Stoich.:	ABC7D15E28F35 (1)
Weight, g/mol:	306.165121
ΔH_f, kcal/mol:	-679.81
Dipole, Da:	3.96
IP(EA), eV:	-9.36(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methyl-1-trimethylsilylpent-1-en-3-yl) 2-methoxybenzoate

Drug info:

PubChemData

Smile

CC(=O)NC1C(CC(OC1C(C(CN2C=C(N=N2)C3=CC=C(C=C3)F)O)O)(C(=O)O)OP(=O)(O)OCC4C(C(C(O4)N5C=CC(=NC5=O)N)O)O)O

DOS

IR

Vibrations